1-[3-(propan-2-ylamino)propanoyl]pyrrolidine-2-carboxylic acid

C11H20N2O3 — CID 61157681

IUPAC1-[3-(propan-2-ylamino)propanoyl]pyrrolidine-2-carboxylic acid
SMILESCC(C)NCCC(=O)N1CCCC1C(=O)O
InChIInChI=1S/C11H20N2O3/c1-8(2)12-6-5-10(14)13-7-3-4-9(13)11(15)16/h8-9,12H,3-7H2,1-2H3,(H,15,16)
InChIKeyIRPXDJMOGZJTDD-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.45
Rot. Bonds5

About 1-[3-(propan-2-ylamino)propanoyl]pyrrolidine-2-carboxylic acid

1-[3-(propan-2-ylamino)propanoyl]pyrrolidine-2-carboxylic acid (PubChem CID 61157681) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 1-[3-(propan-2-ylamino)propanoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[3-(propan-2-ylamino)propanoyl]pyrrolidine-2-carboxylic acid
PubChem CID61157681
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name1-[3-(propan-2-ylamino)propanoyl]pyrrolidine-2-carboxylic acid
SMILESCC(C)NCCC(=O)N1CCCC1C(=O)O
InChIInChI=1S/C11H20N2O3/c1-8(2)12-6-5-10(14)13-7-3-4-9(13)11(15)16/h8-9,12H,3-7H2,1-2H3,(H,15,16)
InChIKeyIRPXDJMOGZJTDD-UHFFFAOYSA-N
XLogP0.45
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-(propan-2-ylamino)propan-1-one
CID 61409975
1-(2-ethylpyrrolidin-1-yl)-3-(propan-2-ylamino)propan-1-one
CID 60974351
(2S)-1-[5-oxo-5-(propan-2-ylamino)pentanoyl]pyrrolidine-2-carboxylic acid
CID 119366095
1-(3-acetamidopropanoyl)piperidine-2-carboxylic acid
CID 43355950
(2S)-1-(3-methylbutanoyl)pyrrolidine-2-carboxylic acid
CID 10535993
4-hydroxy-1-[3-(propan-2-ylamino)propanoyl]pyrrolidine-2-carboxylic acid
CID 61157499
1-(3-hydroxybutanoyl)pyrrolidine-2-carboxylic acid
CID 139391002
1-(3-methoxypropanoyl)pyrrolidine-2-carboxylic acid
CID 60759443
1-(2-methoxyacetyl)pyrrolidine-2-carboxylic acid
CID 16773864
1-[3-(furan-3-carbonylamino)propanoyl]pyrrolidine-2-carboxylic acid
CID 43355669
1-[3-(2-methylpropylsulfonyl)propanoyl]pyrrolidine-2-carboxylic acid
CID 119355675
1-(3-oxopentanoyl)pyrrolidine-2-carboxylic acid
CID 59676020

Frequently Asked Questions

What is the IUPAC name of 1-[3-(propan-2-ylamino)propanoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[3-(propan-2-ylamino)propanoyl]pyrrolidine-2-carboxylic acid (CID 61157681) is 1-[3-(propan-2-ylamino)propanoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[3-(propan-2-ylamino)propanoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[3-(propan-2-ylamino)propanoyl]pyrrolidine-2-carboxylic acid is CC(C)NCCC(=O)N1CCCC1C(=O)O.
What is the InChIKey of 1-[3-(propan-2-ylamino)propanoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is IRPXDJMOGZJTDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-8(2)12-6-5-10(14)13-7-3-4-9(13)11(15)16/h8-9,12H,3-7H2,1-2H3,(H,15,16).
What are the key properties of 1-[3-(propan-2-ylamino)propanoyl]pyrrolidine-2-carboxylic acid?
1-[3-(propan-2-ylamino)propanoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 228.29 g/mol, XLogP of 0.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(propan-2-ylamino)propanoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 61157681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).