2-[cyclopentyl(2-methylprop-2-enylcarbamoyl)amino]acetic acid

C12H20N2O3 — CID 114618078

IUPAC2-[cyclopentyl(2-methylprop-2-enylcarbamoyl)amino]acetic acid
SMILESC=C(C)CNC(=O)N(CC(=O)O)C1CCCC1
InChIInChI=1S/C12H20N2O3/c1-9(2)7-13-12(17)14(8-11(15)16)10-5-3-4-6-10/h10H,1,3-8H2,2H3,(H,13,17)(H,15,16)
InChIKeyOBYMSVJFTCIKKO-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.60
Rot. Bonds5

About 2-[cyclopentyl(2-methylprop-2-enylcarbamoyl)amino]acetic acid

2-[cyclopentyl(2-methylprop-2-enylcarbamoyl)amino]acetic acid (PubChem CID 114618078) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 2-[cyclopentyl(2-methylprop-2-enylcarbamoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopentyl(2-methylprop-2-enylcarbamoyl)amino]acetic acid
PubChem CID114618078
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name2-[cyclopentyl(2-methylprop-2-enylcarbamoyl)amino]acetic acid
SMILESC=C(C)CNC(=O)N(CC(=O)O)C1CCCC1
InChIInChI=1S/C12H20N2O3/c1-9(2)7-13-12(17)14(8-11(15)16)10-5-3-4-6-10/h10H,1,3-8H2,2H3,(H,13,17)(H,15,16)
InChIKeyOBYMSVJFTCIKKO-UHFFFAOYSA-N
XLogP1.60
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[cyclopentyl(2-methylbutylcarbamoyl)amino]acetic acid
CID 62693564
2-[cyclopentyl-[2-(methanesulfonamido)ethylcarbamoyl]amino]acetic acid
CID 61201868
2-[cyclopropyl-[(2-methoxy-2-oxoethyl)carbamoyl]amino]acetic acid
CID 61181974
2-[cyclopentyl-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]amino]acetic acid
CID 102907226
2-[cyclopentyl-[3-(methanesulfonamido)propylcarbamoyl]amino]acetic acid
CID 106340334
2-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoyl-cyclopentylamino]acetic acid
CID 106279068
2-[cyclopropyl(propylcarbamoyl)amino]acetic acid
CID 60828450
2-[cyclopropyl-[2-(dimethylcarbamoylamino)ethylcarbamoyl]amino]acetic acid
CID 83113212
2-[cyclopentyl(2-methylbutan-2-ylcarbamoyl)amino]acetic acid
CID 61188941
2-[cyclopentylcarbamoyl(cyclopropyl)amino]acetic acid
CID 61187386
2-[cyclopropyl(3,3-dimethylbutylcarbamoyl)amino]acetic acid
CID 103995838
3-[cyclopentyl(2-methylprop-2-enyl)amino]propanoic acid
CID 82329735

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl(2-methylprop-2-enylcarbamoyl)amino]acetic acid?
The IUPAC name of 2-[cyclopentyl(2-methylprop-2-enylcarbamoyl)amino]acetic acid (CID 114618078) is 2-[cyclopentyl(2-methylprop-2-enylcarbamoyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopentyl(2-methylprop-2-enylcarbamoyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopentyl(2-methylprop-2-enylcarbamoyl)amino]acetic acid is C=C(C)CNC(=O)N(CC(=O)O)C1CCCC1.
What is the InChIKey of 2-[cyclopentyl(2-methylprop-2-enylcarbamoyl)amino]acetic acid?
The InChIKey is OBYMSVJFTCIKKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-9(2)7-13-12(17)14(8-11(15)16)10-5-3-4-6-10/h10H,1,3-8H2,2H3,(H,13,17)(H,15,16).
What are the key properties of 2-[cyclopentyl(2-methylprop-2-enylcarbamoyl)amino]acetic acid?
2-[cyclopentyl(2-methylprop-2-enylcarbamoyl)amino]acetic acid has a molecular weight of 240.30 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl(2-methylprop-2-enylcarbamoyl)amino]acetic acid is sourced from PubChem (CID 114618078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).