3-[(1-aminocyclopentanecarbonyl)amino]-2-methylpropanoic acid

C10H18N2O3 — CID 62675201

IUPAC3-[(1-aminocyclopentanecarbonyl)amino]-2-methylpropanoic acid
SMILESCC(CNC(=O)C1(N)CCCC1)C(=O)O
InChIInChI=1S/C10H18N2O3/c1-7(8(13)14)6-12-9(15)10(11)4-2-3-5-10/h7H,2-6,11H2,1H3,(H,12,15)(H,13,14)
InChIKeyCUMNCJVZVNSNGW-UHFFFAOYSA-N
MW214.26 g/mol
LogP0.09
Rot. Bonds4

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

3-[(1-aminocyclopentanecarbonyl)amino]-2-methylpropanoic acid (PubChem CID 62675201) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 3-[(1-aminocyclopentanecarbonyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(1-aminocyclopentanecarbonyl)amino]-2-methylpropanoic acid
PubChem CID62675201
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name3-[(1-aminocyclopentanecarbonyl)amino]-2-methylpropanoic acid
SMILESCC(CNC(=O)C1(N)CCCC1)C(=O)O
InChIInChI=1S/C10H18N2O3/c1-7(8(13)14)6-12-9(15)10(11)4-2-3-5-10/h7H,2-6,11H2,1H3,(H,12,15)(H,13,14)
InChIKeyCUMNCJVZVNSNGW-UHFFFAOYSA-N
XLogP0.09
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-[(2S)-2-hydroxypropyl]cyclopentane-1-carboxamide
CID 93315414
1-amino-N-(3-hydroxy-2-methylpropyl)cyclohexane-1-carboxamide
CID 65036083
5-[(1-aminocyclopentanecarbonyl)amino]-2-methylpentanoic acid
CID 112547802
(2S)-3-[(1-aminocyclohexanecarbonyl)amino]-2-hydroxypropanoic acid
CID 107835729
2-[[(1-aminocyclohexanecarbonyl)amino]methyl]-4,4-dimethylpentanoic acid
CID 107475563
5-[(1-aminocyclohexanecarbonyl)amino]-4-methylpentanoic acid
CID 82688208
2-[(1-aminocyclopentanecarbonyl)amino]-4-methylpentanoic acid
CID 61157147
ethyl 3-[(1-aminocyclopropanecarbonyl)amino]-2-methylpropanoate
CID 119789223
1-amino-N-(3-methylbutyl)cyclopentane-1-carboxamide
CID 60866848
2-methyl-3-[(3-methylpyrrolidine-3-carbonyl)amino]propanoic acid
CID 63142174
3-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]-2-methylpropanoic acid
CID 119237635
(2R)-2-[(1-aminocyclopentanecarbonyl)amino]-3-hydroxypropanoic acid
CID 80750294

Frequently Asked Questions

What is the IUPAC name of 3-[(1-aminocyclopentanecarbonyl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[(1-aminocyclopentanecarbonyl)amino]-2-methylpropanoic acid (CID 62675201) is 3-[(1-aminocyclopentanecarbonyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[(1-aminocyclopentanecarbonyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[(1-aminocyclopentanecarbonyl)amino]-2-methylpropanoic acid is CC(CNC(=O)C1(N)CCCC1)C(=O)O.
What is the InChIKey of 3-[(1-aminocyclopentanecarbonyl)amino]-2-methylpropanoic acid?
The InChIKey is CUMNCJVZVNSNGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-7(8(13)14)6-12-9(15)10(11)4-2-3-5-10/h7H,2-6,11H2,1H3,(H,12,15)(H,13,14).
What are the key properties of 3-[(1-aminocyclopentanecarbonyl)amino]-2-methylpropanoic acid?
3-[(1-aminocyclopentanecarbonyl)amino]-2-methylpropanoic acid has a molecular weight of 214.26 g/mol, XLogP of 0.09, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-aminocyclopentanecarbonyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 62675201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).