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

C10H18N2O3 — CID 64824640

IUPAC3-[(2-aminocyclopentanecarbonyl)amino]-2-methylpropanoic acid
SMILESCC(CNC(=O)C1CCCC1N)C(=O)O
InChIInChI=1S/C10H18N2O3/c1-6(10(14)15)5-12-9(13)7-3-2-4-8(7)11/h6-8H,2-5,11H2,1H3,(H,12,13)(H,14,15)
InChIKeyYYPRIEBNSMYSPY-UHFFFAOYSA-N
MW214.26 g/mol
LogP-0.05
Rot. Bonds4

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

3-[(2-aminocyclopentanecarbonyl)amino]-2-methylpropanoic acid (PubChem CID 64824640) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 3-[(2-aminocyclopentanecarbonyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(2-aminocyclopentanecarbonyl)amino]-2-methylpropanoic acid
PubChem CID64824640
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name3-[(2-aminocyclopentanecarbonyl)amino]-2-methylpropanoic acid
SMILESCC(CNC(=O)C1CCCC1N)C(=O)O
InChIInChI=1S/C10H18N2O3/c1-6(10(14)15)5-12-9(13)7-3-2-4-8(7)11/h6-8H,2-5,11H2,1H3,(H,12,13)(H,14,15)
InChIKeyYYPRIEBNSMYSPY-UHFFFAOYSA-N
XLogP-0.05
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 ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[(2S)-2-hydroxypropyl]cyclohexane-1-carboxamide
CID 107221074
(2S)-3-[(2-aminocyclohexanecarbonyl)amino]-2-hydroxypropanoic acid
CID 107835745
2-amino-N-(2-hydroxy-4-methylpentyl)cyclopentane-1-carboxamide
CID 103812101
(3S)-3-[[(2-aminocyclopentanecarbonyl)amino]methyl]-5-methylhexanoic acid
CID 65495163
3-[[(2-aminocyclopentanecarbonyl)amino]methyl]pentanoic acid
CID 81073216
2-amino-N-(2-hydroxypentyl)cyclopentane-1-carboxamide
CID 115739388
4-[(2-aminocyclopentanecarbonyl)amino]-3-methoxybutanoic acid
CID 103157199
5-[(2-aminocycloheptanecarbonyl)amino]-4-methylpentanoic acid
CID 82689474
2-amino-N-[2-[cyclopropyl(methyl)amino]propyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119875547
2-amino-N-[2-(dimethylamino)-3-methylbutyl]cyclohexane-1-carboxamide
CID 64822467
cis-(1R,2S)-2-amino-N-propan-2-ylcyclopentane-1-carboxamide
CID 67437509
3-[(2-aminocyclopentanecarbonyl)amino]butanoic acid
CID 64824606

Frequently Asked Questions

What is the IUPAC name of 3-[(2-aminocyclopentanecarbonyl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[(2-aminocyclopentanecarbonyl)amino]-2-methylpropanoic acid (CID 64824640) is 3-[(2-aminocyclopentanecarbonyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[(2-aminocyclopentanecarbonyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[(2-aminocyclopentanecarbonyl)amino]-2-methylpropanoic acid is CC(CNC(=O)C1CCCC1N)C(=O)O.
What is the InChIKey of 3-[(2-aminocyclopentanecarbonyl)amino]-2-methylpropanoic acid?
The InChIKey is YYPRIEBNSMYSPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-6(10(14)15)5-12-9(13)7-3-2-4-8(7)11/h6-8H,2-5,11H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 3-[(2-aminocyclopentanecarbonyl)amino]-2-methylpropanoic acid?
3-[(2-aminocyclopentanecarbonyl)amino]-2-methylpropanoic acid has a molecular weight of 214.26 g/mol, XLogP of -0.05, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-aminocyclopentanecarbonyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 64824640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).