2-[cyclopentyl(2-methylbutylcarbamoyl)amino]acetic acid

C13H24N2O3 — CID 62693564

IUPAC2-[cyclopentyl(2-methylbutylcarbamoyl)amino]acetic acid
SMILESCCC(C)CNC(=O)N(CC(=O)O)C1CCCC1
InChIInChI=1S/C13H24N2O3/c1-3-10(2)8-14-13(18)15(9-12(16)17)11-6-4-5-7-11/h10-11H,3-9H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyDYZFVMFIQTVWOT-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.07
Rot. Bonds6

About 2-[cyclopentyl(2-methylbutylcarbamoyl)amino]acetic acid

2-[cyclopentyl(2-methylbutylcarbamoyl)amino]acetic acid (PubChem CID 62693564) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-[cyclopentyl(2-methylbutylcarbamoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopentyl(2-methylbutylcarbamoyl)amino]acetic acid
PubChem CID62693564
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name2-[cyclopentyl(2-methylbutylcarbamoyl)amino]acetic acid
SMILESCCC(C)CNC(=O)N(CC(=O)O)C1CCCC1
InChIInChI=1S/C13H24N2O3/c1-3-10(2)8-14-13(18)15(9-12(16)17)11-6-4-5-7-11/h10-11H,3-9H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyDYZFVMFIQTVWOT-UHFFFAOYSA-N
XLogP2.07
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[cyclopentyl-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]amino]acetic acid
CID 102907226
2-[cyclopropyl(2-cyclopropylpropylcarbamoyl)amino]acetic acid
CID 103997573
2-[cyclopentyl(2-methylprop-2-enylcarbamoyl)amino]acetic acid
CID 114618078
2-[cyclopentyl-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]amino]acetic acid
CID 61465951
2-[cyclopentyl(pent-1-yn-3-ylcarbamoyl)amino]acetic acid
CID 114161576
2-[cyclopropyl(propylcarbamoyl)amino]acetic acid
CID 60828450
2-[cyclopentyl(2-methylbutan-2-ylcarbamoyl)amino]acetic acid
CID 61188941
2-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoyl-cyclopentylamino]acetic acid
CID 106279068
2-[cyclopentyl-[2-(methanesulfonamido)ethylcarbamoyl]amino]acetic acid
CID 61201868
2-[cyclopropyl-[[1-oxo-1-(propylamino)propan-2-yl]carbamoyl]amino]acetic acid
CID 54984160
2-[[(2R)-2-aminopropanoyl]-cyclopentylamino]acetic acid
CID 78973399
2-[cyclopentyl-[3-(methanesulfonamido)propylcarbamoyl]amino]acetic acid
CID 106340334

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl(2-methylbutylcarbamoyl)amino]acetic acid?
The IUPAC name of 2-[cyclopentyl(2-methylbutylcarbamoyl)amino]acetic acid (CID 62693564) is 2-[cyclopentyl(2-methylbutylcarbamoyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopentyl(2-methylbutylcarbamoyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopentyl(2-methylbutylcarbamoyl)amino]acetic acid is CCC(C)CNC(=O)N(CC(=O)O)C1CCCC1.
What is the InChIKey of 2-[cyclopentyl(2-methylbutylcarbamoyl)amino]acetic acid?
The InChIKey is DYZFVMFIQTVWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-3-10(2)8-14-13(18)15(9-12(16)17)11-6-4-5-7-11/h10-11H,3-9H2,1-2H3,(H,14,18)(H,16,17).
What are the key properties of 2-[cyclopentyl(2-methylbutylcarbamoyl)amino]acetic acid?
2-[cyclopentyl(2-methylbutylcarbamoyl)amino]acetic acid has a molecular weight of 256.35 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl(2-methylbutylcarbamoyl)amino]acetic acid is sourced from PubChem (CID 62693564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).