2-[[4-[(cyclopentanecarbonylamino)methyl]benzoyl]-ethylamino]acetic acid

C18H24N2O4 — CID 119205884

IUPAC2-[[4-[(cyclopentanecarbonylamino)methyl]benzoyl]-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C(=O)c1ccc(CNC(=O)C2CCCC2)cc1
InChIInChI=1S/C18H24N2O4/c1-2-20(12-16(21)22)18(24)15-9-7-13(8-10-15)11-19-17(23)14-5-3-4-6-14/h7-10,14H,2-6,11-12H2,1H3,(H,19,23)(H,21,22)
InChIKeyCGKUVODRNGPUGO-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.04
Rot. Bonds7

About 2-[[4-[(cyclopentanecarbonylamino)methyl]benzoyl]-ethylamino]acetic acid

2-[[4-[(cyclopentanecarbonylamino)methyl]benzoyl]-ethylamino]acetic acid (PubChem CID 119205884) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is 2-[[4-[(cyclopentanecarbonylamino)methyl]benzoyl]-ethylamino]acetic acid.

Molecular Properties

Compound Name2-[[4-[(cyclopentanecarbonylamino)methyl]benzoyl]-ethylamino]acetic acid
PubChem CID119205884
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name2-[[4-[(cyclopentanecarbonylamino)methyl]benzoyl]-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C(=O)c1ccc(CNC(=O)C2CCCC2)cc1
InChIInChI=1S/C18H24N2O4/c1-2-20(12-16(21)22)18(24)15-9-7-13(8-10-15)11-19-17(23)14-5-3-4-6-14/h7-10,14H,2-6,11-12H2,1H3,(H,19,23)(H,21,22)
InChIKeyCGKUVODRNGPUGO-UHFFFAOYSA-N
XLogP2.04
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(cyclohex-3-ene-1-carbonylamino)methyl]-N,N-diethylbenzamide
CID 86981254
N-[[4-(diethylcarbamoyl)phenyl]methyl]piperidine-2-carboxamide;hydrochloride
CID 119283556
N-benzylcyclopentanecarboxamide
CID 835634
4-[[4-(dimethylcarbamoyl)phenyl]methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672448
N-[(4-carbamothioylphenyl)methyl]cyclooctanecarboxamide
CID 65018764
N-(3-amino-2,2-dimethylpropyl)-4-[(cyclopentanecarbonylamino)methyl]-N-methylbenzamide;hydrochloride
CID 119655210
4-N,4-N-diethyl-1-N-[(4-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148420
N-benzylcyclobutanecarboxamide
CID 730128
3-[[4-[(cyclopentanecarbonylamino)methyl]benzoyl]amino]-2-methylpropanoic acid
CID 119236774
N-[[4-(piperidine-1-carbonyl)phenyl]methyl]cyclopentanecarboxamide
CID 18119554
N-[[4-(diethylcarbamoyl)phenyl]methyl]pyrrolidine-1-carboxamide
CID 86984501
N-[[4-(diethylsulfamoyl)phenyl]methyl]cyclobutanecarboxamide
CID 8820497

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(cyclopentanecarbonylamino)methyl]benzoyl]-ethylamino]acetic acid?
The IUPAC name of 2-[[4-[(cyclopentanecarbonylamino)methyl]benzoyl]-ethylamino]acetic acid (CID 119205884) is 2-[[4-[(cyclopentanecarbonylamino)methyl]benzoyl]-ethylamino]acetic acid.
What is the SMILES notation for 2-[[4-[(cyclopentanecarbonylamino)methyl]benzoyl]-ethylamino]acetic acid?
The canonical SMILES for 2-[[4-[(cyclopentanecarbonylamino)methyl]benzoyl]-ethylamino]acetic acid is CCN(CC(=O)O)C(=O)c1ccc(CNC(=O)C2CCCC2)cc1.
What is the InChIKey of 2-[[4-[(cyclopentanecarbonylamino)methyl]benzoyl]-ethylamino]acetic acid?
The InChIKey is CGKUVODRNGPUGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-2-20(12-16(21)22)18(24)15-9-7-13(8-10-15)11-19-17(23)14-5-3-4-6-14/h7-10,14H,2-6,11-12H2,1H3,(H,19,23)(H,21,22).
What are the key properties of 2-[[4-[(cyclopentanecarbonylamino)methyl]benzoyl]-ethylamino]acetic acid?
2-[[4-[(cyclopentanecarbonylamino)methyl]benzoyl]-ethylamino]acetic acid has a molecular weight of 332.40 g/mol, XLogP of 2.04, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(cyclopentanecarbonylamino)methyl]benzoyl]-ethylamino]acetic acid is sourced from PubChem (CID 119205884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).