1-pyrrolidinylacetic acid

1-pyrrolidinylacetic acid
Compound Structure:
Synonyms: 2-(Pyrrolidin-1-yl)acetic acid;37386-15-5;pyrrolidin-1-ylacetic acid;1-Pyrrolidineacetic acid;Pyrrolidin-1-yl-acetic acid;1-Pyrrolidinylacetic acid;2-pyrrolidin-1-ylacetic acid;2-(1-Pyrrolidyl)acetic Acid
Compound ID: NMPC-123
PubChem ID:

414564
Molecular Formula: C6H11NO2
Canonical SMILES: C1CCN(C1)CC(=O)O
InChIKey: IPXNXMNCBXHYLQ-UHFFFAOYSA-N
About the compound:

GHS Hazard Statements

• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

• H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

129.16 g/mol

XLogP3

-2.8

Hydrogen Bond Donor Count

1

Hydrogen Bond Acceptor Count

3

Rotatable Bond Count

2

Exact Mass

129.078978594 g/mol

Monoisotopic Mass

129.078978594 g/mol

Topological Polar Surface Area

40.5Ų

Heavy Atom Count

9

Formal Charge

0

Complexity

108

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source: PubChem
Source Species: Senna tora
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