2-(pyrrolidin-3-ylamino)propanoic acid

C7H14N2O2 — CID 66810239

IUPAC2-(pyrrolidin-3-ylamino)propanoic acid
SMILESCC(NC1CCNC1)C(=O)O
InChIInChI=1S/C7H14N2O2/c1-5(7(10)11)9-6-2-3-8-4-6/h5-6,8-9H,2-4H2,1H3,(H,10,11)
InChIKeyOTFGRYBHZNZWHC-UHFFFAOYSA-N
MW158.20 g/mol
LogP-0.59
Rot. Bonds3

About 2-(pyrrolidin-3-ylamino)propanoic acid

2-(pyrrolidin-3-ylamino)propanoic acid (PubChem CID 66810239) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 2-(pyrrolidin-3-ylamino)propanoic acid.

Molecular Properties

Compound Name2-(pyrrolidin-3-ylamino)propanoic acid
PubChem CID66810239
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name2-(pyrrolidin-3-ylamino)propanoic acid
SMILESCC(NC1CCNC1)C(=O)O
InChIInChI=1S/C7H14N2O2/c1-5(7(10)11)9-6-2-3-8-4-6/h5-6,8-9H,2-4H2,1H3,(H,10,11)
InChIKeyOTFGRYBHZNZWHC-UHFFFAOYSA-N
XLogP-0.59
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-0.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-2-(pyrrolidin-3-ylamino)propanamide
CID 115880385
1-pyrrolidin-1-yl-2-(pyrrolidin-3-ylamino)propan-1-one
CID 115880387
1-piperidin-1-yl-2-(pyrrolidin-3-ylamino)propan-1-one
CID 79730724
ethyl 2-(pyrrolidin-3-ylamino)propanoate
CID 79741945
(3R)-N-propan-2-ylpyrrolidin-3-amine;bis(2,2,2-trifluoroacetic acid)
CID 86642075
(3R)-N-propan-2-ylpyrrolidin-3-amine
CID 53346611
benzyl 2-(pyrrolidin-3-ylamino)propanoate
CID 19853358
(2S)-3-methyl-2-(pyrrolidin-3-ylamino)butan-1-ol
CID 79742166
(2S)-2-(cyclohexylamino)propanoic acid;(2S)-2-(cyclopentylamino)propanoic acid
CID 118008390
2-[(4-propan-2-ylcyclohexyl)amino]propanoic acid
CID 23221767
2-[(4-methylcyclohexyl)amino]propanoic acid
CID 23221764
pyrrolidin-3-ylcarbamic acid;hydrochloride
CID 141142005

Frequently Asked Questions

What is the IUPAC name of 2-(pyrrolidin-3-ylamino)propanoic acid?
The IUPAC name of 2-(pyrrolidin-3-ylamino)propanoic acid (CID 66810239) is 2-(pyrrolidin-3-ylamino)propanoic acid.
What is the SMILES notation for 2-(pyrrolidin-3-ylamino)propanoic acid?
The canonical SMILES for 2-(pyrrolidin-3-ylamino)propanoic acid is CC(NC1CCNC1)C(=O)O.
What is the InChIKey of 2-(pyrrolidin-3-ylamino)propanoic acid?
The InChIKey is OTFGRYBHZNZWHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-5(7(10)11)9-6-2-3-8-4-6/h5-6,8-9H,2-4H2,1H3,(H,10,11).
What are the key properties of 2-(pyrrolidin-3-ylamino)propanoic acid?
2-(pyrrolidin-3-ylamino)propanoic acid has a molecular weight of 158.20 g/mol, XLogP of -0.59, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyrrolidin-3-ylamino)propanoic acid is sourced from PubChem (CID 66810239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).