2-[(2-methylpyrrolidine-3-carbonyl)amino]propanoic acid

C9H16N2O3 — CID 79388540

IUPAC2-[(2-methylpyrrolidine-3-carbonyl)amino]propanoic acid
SMILESCC(NC(=O)C1CCNC1C)C(=O)O
InChIInChI=1S/C9H16N2O3/c1-5-7(3-4-10-5)8(12)11-6(2)9(13)14/h5-7,10H,3-4H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyGPRSWUWEBUBVNU-UHFFFAOYSA-N
MW200.24 g/mol
LogP-0.43
Rot. Bonds3

About 2-[(2-methylpyrrolidine-3-carbonyl)amino]propanoic acid

2-[(2-methylpyrrolidine-3-carbonyl)amino]propanoic acid (PubChem CID 79388540) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 2-[(2-methylpyrrolidine-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(2-methylpyrrolidine-3-carbonyl)amino]propanoic acid
PubChem CID79388540
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name2-[(2-methylpyrrolidine-3-carbonyl)amino]propanoic acid
SMILESCC(NC(=O)C1CCNC1C)C(=O)O
InChIInChI=1S/C9H16N2O3/c1-5-7(3-4-10-5)8(12)11-6(2)9(13)14/h5-7,10H,3-4H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyGPRSWUWEBUBVNU-UHFFFAOYSA-N
XLogP-0.43
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-3-hydroxy-2-[(2-methylpyrrolidine-3-carbonyl)amino]propanoic acid
CID 80750843
3-methyl-2-[(2-methylpyrrolidine-3-carbonyl)amino]butanoic acid
CID 79388459
(2R)-3-methyl-2-[(2-methylpyrrolidine-3-carbonyl)amino]butanoic acid
CID 79385021
(2S)-4-methoxy-2-[(2-methylpyrrolidine-3-carbonyl)amino]-4-oxobutanoic acid
CID 79384306
(2S,3S)-2-methyl-N-propan-2-ylpiperidine-3-carboxamide
CID 97050937
(2S)-2-[(2-methylcyclopropanecarbonyl)amino]propanoic acid
CID 61131550
N,2-dimethylpyrrolidine-3-carboxamide
CID 79382983
(2R,3R)-2-methylpyrrolidine-3-carboxylic acid
CID 10887930
N-(1-ethoxypropan-2-yl)-2-methylpyrrolidine-3-carboxamide
CID 79388083
2-methylpyrrolidine-3-carbohydrazide
CID 79384311
2-methyl-N-[1-(oxolan-2-yl)ethyl]pyrrolidine-3-carboxamide
CID 79389054
2-[(2-methylpyrrolidine-3-carbonyl)amino]acetic acid
CID 79388783

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpyrrolidine-3-carbonyl)amino]propanoic acid?
The IUPAC name of 2-[(2-methylpyrrolidine-3-carbonyl)amino]propanoic acid (CID 79388540) is 2-[(2-methylpyrrolidine-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-[(2-methylpyrrolidine-3-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-[(2-methylpyrrolidine-3-carbonyl)amino]propanoic acid is CC(NC(=O)C1CCNC1C)C(=O)O.
What is the InChIKey of 2-[(2-methylpyrrolidine-3-carbonyl)amino]propanoic acid?
The InChIKey is GPRSWUWEBUBVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-5-7(3-4-10-5)8(12)11-6(2)9(13)14/h5-7,10H,3-4H2,1-2H3,(H,11,12)(H,13,14).
What are the key properties of 2-[(2-methylpyrrolidine-3-carbonyl)amino]propanoic acid?
2-[(2-methylpyrrolidine-3-carbonyl)amino]propanoic acid has a molecular weight of 200.24 g/mol, XLogP of -0.43, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpyrrolidine-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 79388540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).