3-[(2-carbamoylpyrrolidine-1-carbonyl)amino]-2-methylpropanoic acid

C10H17N3O4 — CID 62670104

IUPAC3-[(2-carbamoylpyrrolidine-1-carbonyl)amino]-2-methylpropanoic acid
SMILESCC(CNC(=O)N1CCCC1C(N)=O)C(=O)O
InChIInChI=1S/C10H17N3O4/c1-6(9(15)16)5-12-10(17)13-4-2-3-7(13)8(11)14/h6-7H,2-5H2,1H3,(H2,11,14)(H,12,17)(H,15,16)
InChIKeyZPDFNDNMOMAHCJ-UHFFFAOYSA-N
MW243.26 g/mol
LogP-0.63
Rot. Bonds4

About 3-[(2-carbamoylpyrrolidine-1-carbonyl)amino]-2-methylpropanoic acid

3-[(2-carbamoylpyrrolidine-1-carbonyl)amino]-2-methylpropanoic acid (PubChem CID 62670104) has the molecular formula C10H17N3O4 and a molecular weight of 243.26 g/mol. Its IUPAC name is 3-[(2-carbamoylpyrrolidine-1-carbonyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(2-carbamoylpyrrolidine-1-carbonyl)amino]-2-methylpropanoic acid
PubChem CID62670104
Molecular FormulaC10H17N3O4
Molecular Weight243.26 g/mol
Exact Mass243.12
IUPAC Name3-[(2-carbamoylpyrrolidine-1-carbonyl)amino]-2-methylpropanoic acid
SMILESCC(CNC(=O)N1CCCC1C(N)=O)C(=O)O
InChIInChI=1S/C10H17N3O4/c1-6(9(15)16)5-12-10(17)13-4-2-3-7(13)8(11)14/h6-7H,2-5H2,1H3,(H2,11,14)(H,12,17)(H,15,16)
InChIKeyZPDFNDNMOMAHCJ-UHFFFAOYSA-N
XLogP-0.63
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 5-0.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-3-[(2-carbamoylpyrrolidine-1-carbonyl)amino]-2-hydroxypropanoic acid
CID 107838232
3-[(2-ethoxycarbonylpiperidine-1-carbonyl)amino]-2-methylpropanoic acid
CID 62670640
2-[[(2-carbamoylpiperidine-1-carbonyl)amino]methyl]butanoic acid
CID 65221074
2-[(2-carbamoylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 61200145
3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carbonylamino)-2-methylpropanoic acid
CID 65319645
(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-hydroxy-2-methylpropanoic acid
CID 66174648
(2R)-1-(2-cyclopropylpropylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 104863962
(2S)-2-[(2-carbamoylpiperidine-1-carbonyl)amino]pentanoic acid
CID 107566579
(2S)-1-[(2-methyl-3-methylsulfanylpropyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 78955144
4-[[(2-carbamoylpyrrolidine-1-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79524794

Frequently Asked Questions

What is the IUPAC name of 3-[(2-carbamoylpyrrolidine-1-carbonyl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[(2-carbamoylpyrrolidine-1-carbonyl)amino]-2-methylpropanoic acid (CID 62670104) is 3-[(2-carbamoylpyrrolidine-1-carbonyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[(2-carbamoylpyrrolidine-1-carbonyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[(2-carbamoylpyrrolidine-1-carbonyl)amino]-2-methylpropanoic acid is CC(CNC(=O)N1CCCC1C(N)=O)C(=O)O.
What is the InChIKey of 3-[(2-carbamoylpyrrolidine-1-carbonyl)amino]-2-methylpropanoic acid?
The InChIKey is ZPDFNDNMOMAHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O4/c1-6(9(15)16)5-12-10(17)13-4-2-3-7(13)8(11)14/h6-7H,2-5H2,1H3,(H2,11,14)(H,12,17)(H,15,16).
What are the key properties of 3-[(2-carbamoylpyrrolidine-1-carbonyl)amino]-2-methylpropanoic acid?
3-[(2-carbamoylpyrrolidine-1-carbonyl)amino]-2-methylpropanoic acid has a molecular weight of 243.26 g/mol, XLogP of -0.63, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-carbamoylpyrrolidine-1-carbonyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 62670104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).