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

C12H22N2O3 — CID 66010443

IUPAC2-[(3-aminocyclopentanecarbonyl)amino]-2-methylpentanoic acid
SMILESCCCC(C)(NC(=O)C1CCC(N)C1)C(=O)O
InChIInChI=1S/C12H22N2O3/c1-3-6-12(2,11(16)17)14-10(15)8-4-5-9(13)7-8/h8-9H,3-7,13H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyAFWOOSMDUKTUQH-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.87
Rot. Bonds5

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

2-[(3-aminocyclopentanecarbonyl)amino]-2-methylpentanoic acid (PubChem CID 66010443) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-[(3-aminocyclopentanecarbonyl)amino]-2-methylpentanoic acid.

Molecular Properties

Compound Name2-[(3-aminocyclopentanecarbonyl)amino]-2-methylpentanoic acid
PubChem CID66010443
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name2-[(3-aminocyclopentanecarbonyl)amino]-2-methylpentanoic acid
SMILESCCCC(C)(NC(=O)C1CCC(N)C1)C(=O)O
InChIInChI=1S/C12H22N2O3/c1-3-6-12(2,11(16)17)14-10(15)8-4-5-9(13)7-8/h8-9H,3-7,13H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyAFWOOSMDUKTUQH-UHFFFAOYSA-N
XLogP0.87
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(2,4,4-trimethylpentan-2-yl)cyclopentane-1-carboxamide
CID 66009158
3-amino-N-(2-methylpentan-2-yl)cyclohexane-1-carboxamide;hydrochloride
CID 119763282
2-methyl-2-[(2-methylcyclopentanecarbonyl)amino]pentanoic acid
CID 107175190
2-methyl-2-(oxane-3-carbonylamino)pentanoic acid
CID 62759574
methyl 2-[(3-aminocyclopentanecarbonyl)amino]-3-methoxy-2-methylpropanoate;hydrochloride
CID 119815286
3-amino-N-[3-(aminomethyl)pentan-3-yl]cyclopentane-1-carboxamide
CID 122080567
2-[(1-carbamoylpiperidine-3-carbonyl)amino]-2-methylpentanoic acid
CID 43618865
3-amino-N-(2-hydroxy-2-methylpropyl)cyclopentane-1-carboxamide
CID 66009656
2-[(1-butanoylpiperidine-3-carbonyl)amino]-2-methylpentanoic acid
CID 119192417
2-methyl-2-(piperidine-2-carbonylamino)pentanoic acid
CID 61159683
3-amino-N-[2-(ethylamino)-2-oxoethyl]cyclopentane-1-carboxamide
CID 66032086
2-methyl-2-[(3-methylcyclopentyl)methylcarbamoylamino]pentanoic acid
CID 107414489

Frequently Asked Questions

What is the IUPAC name of 2-[(3-aminocyclopentanecarbonyl)amino]-2-methylpentanoic acid?
The IUPAC name of 2-[(3-aminocyclopentanecarbonyl)amino]-2-methylpentanoic acid (CID 66010443) is 2-[(3-aminocyclopentanecarbonyl)amino]-2-methylpentanoic acid.
What is the SMILES notation for 2-[(3-aminocyclopentanecarbonyl)amino]-2-methylpentanoic acid?
The canonical SMILES for 2-[(3-aminocyclopentanecarbonyl)amino]-2-methylpentanoic acid is CCCC(C)(NC(=O)C1CCC(N)C1)C(=O)O.
What is the InChIKey of 2-[(3-aminocyclopentanecarbonyl)amino]-2-methylpentanoic acid?
The InChIKey is AFWOOSMDUKTUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-3-6-12(2,11(16)17)14-10(15)8-4-5-9(13)7-8/h8-9H,3-7,13H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 2-[(3-aminocyclopentanecarbonyl)amino]-2-methylpentanoic acid?
2-[(3-aminocyclopentanecarbonyl)amino]-2-methylpentanoic acid has a molecular weight of 242.32 g/mol, XLogP of 0.87, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-aminocyclopentanecarbonyl)amino]-2-methylpentanoic acid is sourced from PubChem (CID 66010443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).