2-[(2-carbamoylpyrrolidine-1-carbonyl)amino]propanoic acid

C9H15N3O4 — CID 61200145

IUPAC2-[(2-carbamoylpyrrolidine-1-carbonyl)amino]propanoic acid
SMILESCC(NC(=O)N1CCCC1C(N)=O)C(=O)O
InChIInChI=1S/C9H15N3O4/c1-5(8(14)15)11-9(16)12-4-2-3-6(12)7(10)13/h5-6H,2-4H2,1H3,(H2,10,13)(H,11,16)(H,14,15)
InChIKeyKQMWLJCZXOQJNQ-UHFFFAOYSA-N
MW229.24 g/mol
LogP-0.88
Rot. Bonds3

About 2-[(2-carbamoylpyrrolidine-1-carbonyl)amino]propanoic acid

2-[(2-carbamoylpyrrolidine-1-carbonyl)amino]propanoic acid (PubChem CID 61200145) has the molecular formula C9H15N3O4 and a molecular weight of 229.24 g/mol. Its IUPAC name is 2-[(2-carbamoylpyrrolidine-1-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(2-carbamoylpyrrolidine-1-carbonyl)amino]propanoic acid
PubChem CID61200145
Molecular FormulaC9H15N3O4
Molecular Weight229.24 g/mol
Exact Mass229.11
IUPAC Name2-[(2-carbamoylpyrrolidine-1-carbonyl)amino]propanoic acid
SMILESCC(NC(=O)N1CCCC1C(N)=O)C(=O)O
InChIInChI=1S/C9H15N3O4/c1-5(8(14)15)11-9(16)12-4-2-3-6(12)7(10)13/h5-6H,2-4H2,1H3,(H2,10,13)(H,11,16)(H,14,15)
InChIKeyKQMWLJCZXOQJNQ-UHFFFAOYSA-N
XLogP-0.88
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 5-0.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-methoxycarbonylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 61199397
(2S)-2-[(2-methylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 61207464
(2R)-4-amino-2-[(2-carbamoylpyrrolidine-1-carbonyl)amino]-4-oxobutanoic acid
CID 114005368
4-amino-2-[(2-carbamoylpyrrolidine-1-carbonyl)amino]-4-oxobutanoic acid
CID 61200187
3-[(2-carbamoylpyrrolidine-1-carbonyl)amino]-2-methylpropanoic acid
CID 62670104
(2R)-2-[(2,3-dimethylpiperidine-1-carbonyl)amino]propanoic acid
CID 78986525
(2S)-2-[(2-carbamoylpiperidine-1-carbonyl)amino]pentanoic acid
CID 107566579
1-[(1-methoxy-1-oxopropan-2-yl)carbamoyl]azepane-2-carboxylic acid
CID 64564093
(2R)-5-amino-2-[(2-carbamoylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 107830729
(2S)-1-[(1-ethoxy-1-oxopropan-2-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 54960242
5-[(2-carbamoylpiperidine-1-carbonyl)amino]hexanoic acid
CID 82848994
(2S)-3-[(2-carbamoylpyrrolidine-1-carbonyl)amino]-2-hydroxypropanoic acid
CID 107838232

Frequently Asked Questions

What is the IUPAC name of 2-[(2-carbamoylpyrrolidine-1-carbonyl)amino]propanoic acid?
The IUPAC name of 2-[(2-carbamoylpyrrolidine-1-carbonyl)amino]propanoic acid (CID 61200145) is 2-[(2-carbamoylpyrrolidine-1-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-[(2-carbamoylpyrrolidine-1-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-[(2-carbamoylpyrrolidine-1-carbonyl)amino]propanoic acid is CC(NC(=O)N1CCCC1C(N)=O)C(=O)O.
What is the InChIKey of 2-[(2-carbamoylpyrrolidine-1-carbonyl)amino]propanoic acid?
The InChIKey is KQMWLJCZXOQJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O4/c1-5(8(14)15)11-9(16)12-4-2-3-6(12)7(10)13/h5-6H,2-4H2,1H3,(H2,10,13)(H,11,16)(H,14,15).
What are the key properties of 2-[(2-carbamoylpyrrolidine-1-carbonyl)amino]propanoic acid?
2-[(2-carbamoylpyrrolidine-1-carbonyl)amino]propanoic acid has a molecular weight of 229.24 g/mol, XLogP of -0.88, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-carbamoylpyrrolidine-1-carbonyl)amino]propanoic acid is sourced from PubChem (CID 61200145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).