2-[cyclopentyl(2-methylbutan-2-ylcarbamoyl)amino]acetic acid

C13H24N2O3 — CID 61188941

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

About 2-[cyclopentyl(2-methylbutan-2-ylcarbamoyl)amino]acetic acid

2-[cyclopentyl(2-methylbutan-2-ylcarbamoyl)amino]acetic acid (PubChem CID 61188941) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-[cyclopentyl(2-methylbutan-2-ylcarbamoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopentyl(2-methylbutan-2-ylcarbamoyl)amino]acetic acid
PubChem CID61188941
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name2-[cyclopentyl(2-methylbutan-2-ylcarbamoyl)amino]acetic acid
SMILESCCC(C)(C)NC(=O)N(CC(=O)O)C1CCCC1
InChIInChI=1S/C13H24N2O3/c1-4-13(2,3)14-12(18)15(9-11(16)17)10-7-5-6-8-10/h10H,4-9H2,1-3H3,(H,14,18)(H,16,17)
InChIKeyHJXCCYGBGUHMKB-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-[(1,1-dioxothiolan-3-yl)-(2-methylbutan-2-ylcarbamoyl)amino]acetic acid
CID 61187496
2-[[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]amino]-2-methylbutanoic acid
CID 79801359
2-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoyl-cyclopentylamino]acetic acid
CID 106279068
2-[cyclopentylcarbamoyl(cyclopropyl)amino]acetic acid
CID 61187386
2-[[cyclohexyl(ethyl)carbamoyl]amino]-2-methylpropanoic acid
CID 61265940
2-[cyclopentyl(2-methylbutylcarbamoyl)amino]acetic acid
CID 62693564
2-[cyclopentyl(oxan-4-ylcarbamoyl)amino]acetic acid
CID 61202948
2-[cyclopentyl(2-methylprop-2-enylcarbamoyl)amino]acetic acid
CID 114618078
2-[tert-butyl(cyclopentyl)amino]acetic acid
CID 79268396
2-[cyclopropyl(2,2-dimethylbutanoyl)amino]acetic acid
CID 62680100
2-[cyclooctyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
CID 22476048
2-[cyclopropyl-[(2-methoxy-2-oxoethyl)carbamoyl]amino]acetic acid
CID 61181974

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl(2-methylbutan-2-ylcarbamoyl)amino]acetic acid?
The IUPAC name of 2-[cyclopentyl(2-methylbutan-2-ylcarbamoyl)amino]acetic acid (CID 61188941) is 2-[cyclopentyl(2-methylbutan-2-ylcarbamoyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopentyl(2-methylbutan-2-ylcarbamoyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopentyl(2-methylbutan-2-ylcarbamoyl)amino]acetic acid is CCC(C)(C)NC(=O)N(CC(=O)O)C1CCCC1.
What is the InChIKey of 2-[cyclopentyl(2-methylbutan-2-ylcarbamoyl)amino]acetic acid?
The InChIKey is HJXCCYGBGUHMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-4-13(2,3)14-12(18)15(9-11(16)17)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(2-methylbutan-2-ylcarbamoyl)amino]acetic acid?
2-[cyclopentyl(2-methylbutan-2-ylcarbamoyl)amino]acetic 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(2-methylbutan-2-ylcarbamoyl)amino]acetic acid is sourced from PubChem (CID 61188941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).