1-(1-phenylethylcarbamoylamino)cyclopentane-1-carboxylic acid

C15H20N2O3 — CID 61186922

IUPAC1-(1-phenylethylcarbamoylamino)cyclopentane-1-carboxylic acid
SMILESCC(NC(=O)NC1(C(=O)O)CCCC1)c1ccccc1
InChIInChI=1S/C15H20N2O3/c1-11(12-7-3-2-4-8-12)16-14(20)17-15(13(18)19)9-5-6-10-15/h2-4,7-8,11H,5-6,9-10H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyIRWWYIHATFKTKV-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.44
Rot. Bonds4

About 1-(1-phenylethylcarbamoylamino)cyclopentane-1-carboxylic acid

1-(1-phenylethylcarbamoylamino)cyclopentane-1-carboxylic acid (PubChem CID 61186922) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-(1-phenylethylcarbamoylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(1-phenylethylcarbamoylamino)cyclopentane-1-carboxylic acid
PubChem CID61186922
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name1-(1-phenylethylcarbamoylamino)cyclopentane-1-carboxylic acid
SMILESCC(NC(=O)NC1(C(=O)O)CCCC1)c1ccccc1
InChIInChI=1S/C15H20N2O3/c1-11(12-7-3-2-4-8-12)16-14(20)17-15(13(18)19)9-5-6-10-15/h2-4,7-8,11H,5-6,9-10H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyIRWWYIHATFKTKV-UHFFFAOYSA-N
XLogP2.44
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(3-bromophenyl)ethylcarbamoylamino]cyclobutane-1-carboxylic acid
CID 81162890
1-[1-(2-methylphenyl)ethylcarbamoylamino]cyclobutane-1-carboxylic acid
CID 81163308
1-[1-(furan-2-yl)ethylcarbamoylamino]cycloheptane-1-carboxylic acid
CID 61197564
1-(1-phenylpropylcarbamoylamino)cyclobutane-1-carboxylic acid
CID 81162628
1-[(1-hydroxycyclohexyl)methyl]-3-(1-phenylethyl)urea
CID 110936427
1-[(3-propan-2-ylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 61196688
1-(1-phenylethylamino)cyclopropane-1-carboxylic acid
CID 45089698
1-[1-(4-chlorophenyl)ethylcarbamoylamino]-N-methylcyclohexane-1-carboxamide
CID 119070824
1-hydroxy-3-[(1R)-1-phenylethyl]urea
CID 50905877
1-[1-(3,4-dimethoxyphenyl)ethylcarbamoylamino]cyclopentane-1-carboxamide
CID 122571672
1-[(2-methoxy-2-phenylacetyl)amino]cyclobutane-1-carboxylic acid
CID 81158771
1-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoylamino]cyclopentane-1-carboxylic acid
CID 103997635

Frequently Asked Questions

What is the IUPAC name of 1-(1-phenylethylcarbamoylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(1-phenylethylcarbamoylamino)cyclopentane-1-carboxylic acid (CID 61186922) is 1-(1-phenylethylcarbamoylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(1-phenylethylcarbamoylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(1-phenylethylcarbamoylamino)cyclopentane-1-carboxylic acid is CC(NC(=O)NC1(C(=O)O)CCCC1)c1ccccc1.
What is the InChIKey of 1-(1-phenylethylcarbamoylamino)cyclopentane-1-carboxylic acid?
The InChIKey is IRWWYIHATFKTKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-11(12-7-3-2-4-8-12)16-14(20)17-15(13(18)19)9-5-6-10-15/h2-4,7-8,11H,5-6,9-10H2,1H3,(H,18,19)(H2,16,17,20).
What are the key properties of 1-(1-phenylethylcarbamoylamino)cyclopentane-1-carboxylic acid?
1-(1-phenylethylcarbamoylamino)cyclopentane-1-carboxylic acid has a molecular weight of 276.34 g/mol, XLogP of 2.44, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylethylcarbamoylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 61186922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).