2-[1-[[ethyl(phenyl)carbamoyl]amino]cyclopentyl]acetic acid

C16H22N2O3 — CID 64700831

IUPAC2-[1-[[ethyl(phenyl)carbamoyl]amino]cyclopentyl]acetic acid
SMILESCCN(C(=O)NC1(CC(=O)O)CCCC1)c1ccccc1
InChIInChI=1S/C16H22N2O3/c1-2-18(13-8-4-3-5-9-13)15(21)17-16(12-14(19)20)10-6-7-11-16/h3-5,8-9H,2,6-7,10-12H2,1H3,(H,17,21)(H,19,20)
InChIKeyNGHINJAMIPHRAH-UHFFFAOYSA-N
MW290.36 g/mol
LogP3.01
Rot. Bonds5

About 2-[1-[[ethyl(phenyl)carbamoyl]amino]cyclopentyl]acetic acid

2-[1-[[ethyl(phenyl)carbamoyl]amino]cyclopentyl]acetic acid (PubChem CID 64700831) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-[1-[[ethyl(phenyl)carbamoyl]amino]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[ethyl(phenyl)carbamoyl]amino]cyclopentyl]acetic acid
PubChem CID64700831
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-[1-[[ethyl(phenyl)carbamoyl]amino]cyclopentyl]acetic acid
SMILESCCN(C(=O)NC1(CC(=O)O)CCCC1)c1ccccc1
InChIInChI=1S/C16H22N2O3/c1-2-18(13-8-4-3-5-9-13)15(21)17-16(12-14(19)20)10-6-7-11-16/h3-5,8-9H,2,6-7,10-12H2,1H3,(H,17,21)(H,19,20)
InChIKeyNGHINJAMIPHRAH-UHFFFAOYSA-N
XLogP3.01
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[[ethyl-(3-methylphenyl)carbamoyl]amino]cyclobutyl]acetic acid
CID 79842019
2-[1-(diethylcarbamoylamino)cyclopentyl]acetic acid
CID 64701206
2-[1-[[methyl-(3-methylphenyl)carbamoyl]amino]cyclobutyl]acetic acid
CID 79851387
2-[1-[[ethyl(propyl)carbamoyl]amino]cyclopentyl]acetic acid
CID 64700256
2-[1-[[(4-ethylphenyl)-methylcarbamoyl]amino]cyclobutyl]acetic acid
CID 79842490
2-[1-(dipropylcarbamoylamino)cyclopentyl]acetic acid
CID 64702576
1-[[[ethyl(phenyl)carbamoyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 115446343
2-[1-[[methyl-(4-methylphenyl)carbamoyl]amino]cyclobutyl]acetic acid
CID 79851463
2-[1-(dipropylcarbamoylamino)cyclohexyl]acetic acid
CID 64702575
2-[1-[(2-phenylacetyl)amino]cyclohexyl]acetic acid
CID 64671959
1-[[[ethyl(phenyl)carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 113312370
2-[1-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]cyclopentyl]acetic acid
CID 79385482

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[ethyl(phenyl)carbamoyl]amino]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[[ethyl(phenyl)carbamoyl]amino]cyclopentyl]acetic acid (CID 64700831) is 2-[1-[[ethyl(phenyl)carbamoyl]amino]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[[ethyl(phenyl)carbamoyl]amino]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[[ethyl(phenyl)carbamoyl]amino]cyclopentyl]acetic acid is CCN(C(=O)NC1(CC(=O)O)CCCC1)c1ccccc1.
What is the InChIKey of 2-[1-[[ethyl(phenyl)carbamoyl]amino]cyclopentyl]acetic acid?
The InChIKey is NGHINJAMIPHRAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-2-18(13-8-4-3-5-9-13)15(21)17-16(12-14(19)20)10-6-7-11-16/h3-5,8-9H,2,6-7,10-12H2,1H3,(H,17,21)(H,19,20).
What are the key properties of 2-[1-[[ethyl(phenyl)carbamoyl]amino]cyclopentyl]acetic acid?
2-[1-[[ethyl(phenyl)carbamoyl]amino]cyclopentyl]acetic acid has a molecular weight of 290.36 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[ethyl(phenyl)carbamoyl]amino]cyclopentyl]acetic acid is sourced from PubChem (CID 64700831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).