2-[[cyclopentyl(methyl)carbamoyl]amino]-2-methylpentanoic acid

C13H24N2O3 — CID 61194709

IUPAC2-[[cyclopentyl(methyl)carbamoyl]amino]-2-methylpentanoic acid
SMILESCCCC(C)(NC(=O)N(C)C1CCCC1)C(=O)O
InChIInChI=1S/C13H24N2O3/c1-4-9-13(2,11(16)17)14-12(18)15(3)10-7-5-6-8-10/h10H,4-9H2,1-3H3,(H,14,18)(H,16,17)
InChIKeyCHGSXLNNUQMFFY-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.21
Rot. Bonds5

About 2-[[cyclopentyl(methyl)carbamoyl]amino]-2-methylpentanoic acid

2-[[cyclopentyl(methyl)carbamoyl]amino]-2-methylpentanoic acid (PubChem CID 61194709) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-[[cyclopentyl(methyl)carbamoyl]amino]-2-methylpentanoic acid.

Molecular Properties

Compound Name2-[[cyclopentyl(methyl)carbamoyl]amino]-2-methylpentanoic acid
PubChem CID61194709
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name2-[[cyclopentyl(methyl)carbamoyl]amino]-2-methylpentanoic acid
SMILESCCCC(C)(NC(=O)N(C)C1CCCC1)C(=O)O
InChIInChI=1S/C13H24N2O3/c1-4-9-13(2,11(16)17)14-12(18)15(3)10-7-5-6-8-10/h10H,4-9H2,1-3H3,(H,14,18)(H,16,17)
InChIKeyCHGSXLNNUQMFFY-UHFFFAOYSA-N
XLogP2.21
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-2-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]pentanoic acid
CID 62547381
2-[[(2-hydroxycyclohexyl)-methylcarbamoyl]amino]-2-methylpentanoic acid
CID 102633457
2-[[cyclopropyl(methyl)carbamoyl]amino]-2-methylbutanoic acid
CID 79801490
2-[[cycloheptyl(methyl)carbamoyl]amino]-2-ethylbutanoic acid
CID 79803979
2-methyl-2-[[methyl-(3-methylcyclohexyl)carbamoyl]amino]butanoic acid
CID 79800820
2-(cyclohexylcarbamoylamino)-2-methylpentanoic acid
CID 43619151
2-(cyclooctylcarbamoylamino)-2-methylpentanoic acid
CID 61181430
3-[[cycloheptyl(methyl)carbamoyl]amino]-2,2,3-trimethylbutanoic acid
CID 65266389
3-(1-amino-2-methylpropan-2-yl)-1-cyclopentyl-1-methylurea
CID 82508745
2-methyl-2-[[methyl(oxan-4-ylmethyl)carbamoyl]amino]pentanoic acid
CID 63706063
2-methyl-2-[(2-methylcyclopentanecarbonyl)amino]pentanoic acid
CID 107175190
3-[[cyclohexyl(methyl)carbamoyl]amino]-2,2-dimethylpropanoic acid
CID 113308086

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopentyl(methyl)carbamoyl]amino]-2-methylpentanoic acid?
The IUPAC name of 2-[[cyclopentyl(methyl)carbamoyl]amino]-2-methylpentanoic acid (CID 61194709) is 2-[[cyclopentyl(methyl)carbamoyl]amino]-2-methylpentanoic acid.
What is the SMILES notation for 2-[[cyclopentyl(methyl)carbamoyl]amino]-2-methylpentanoic acid?
The canonical SMILES for 2-[[cyclopentyl(methyl)carbamoyl]amino]-2-methylpentanoic acid is CCCC(C)(NC(=O)N(C)C1CCCC1)C(=O)O.
What is the InChIKey of 2-[[cyclopentyl(methyl)carbamoyl]amino]-2-methylpentanoic acid?
The InChIKey is CHGSXLNNUQMFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-4-9-13(2,11(16)17)14-12(18)15(3)10-7-5-6-8-10/h10H,4-9H2,1-3H3,(H,14,18)(H,16,17).
What are the key properties of 2-[[cyclopentyl(methyl)carbamoyl]amino]-2-methylpentanoic acid?
2-[[cyclopentyl(methyl)carbamoyl]amino]-2-methylpentanoic acid has a molecular weight of 256.35 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopentyl(methyl)carbamoyl]amino]-2-methylpentanoic acid is sourced from PubChem (CID 61194709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).