3-[[4-[(cyclopentanecarbonylamino)methyl]benzoyl]amino]-2-methylpropanoic acid

C18H24N2O4 — CID 119236774

IUPAC3-[[4-[(cyclopentanecarbonylamino)methyl]benzoyl]amino]-2-methylpropanoic acid
SMILESCC(CNC(=O)c1ccc(CNC(=O)C2CCCC2)cc1)C(=O)O
InChIInChI=1S/C18H24N2O4/c1-12(18(23)24)10-19-17(22)15-8-6-13(7-9-15)11-20-16(21)14-4-2-3-5-14/h6-9,12,14H,2-5,10-11H2,1H3,(H,19,22)(H,20,21)(H,23,24)
InChIKeyOIUMSMFPCFZTOX-UHFFFAOYSA-N
MW332.40 g/mol
LogP1.94
Rot. Bonds7

About 3-[[4-[(cyclopentanecarbonylamino)methyl]benzoyl]amino]-2-methylpropanoic acid

3-[[4-[(cyclopentanecarbonylamino)methyl]benzoyl]amino]-2-methylpropanoic acid (PubChem CID 119236774) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is 3-[[4-[(cyclopentanecarbonylamino)methyl]benzoyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[[4-[(cyclopentanecarbonylamino)methyl]benzoyl]amino]-2-methylpropanoic acid
PubChem CID119236774
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name3-[[4-[(cyclopentanecarbonylamino)methyl]benzoyl]amino]-2-methylpropanoic acid
SMILESCC(CNC(=O)c1ccc(CNC(=O)C2CCCC2)cc1)C(=O)O
InChIInChI=1S/C18H24N2O4/c1-12(18(23)24)10-19-17(22)15-8-6-13(7-9-15)11-20-16(21)14-4-2-3-5-14/h6-9,12,14H,2-5,10-11H2,1H3,(H,19,22)(H,20,21)(H,23,24)
InChIKeyOIUMSMFPCFZTOX-UHFFFAOYSA-N
XLogP1.94
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-4-[(cyclopentanecarbonylamino)methyl]benzamide;hydrochloride
CID 119384153
N-(3-aminobutyl)-4-[(cyclopentanecarbonylamino)methyl]benzamide;hydrochloride
CID 119497751
N-butan-2-yl-4-[(cyclobutanecarbonylamino)methyl]benzamide
CID 51082846
4-[[4-[(cyclopentanecarbonylamino)methyl]benzoyl]amino]cyclohexane-1-carboxylic acid
CID 119229257
N-benzylcyclopentanecarboxamide
CID 835634
N-[(4-carbamothioylphenyl)methyl]cyclooctanecarboxamide
CID 65018764
2-[2-[[4-[(cyclopentanecarbonylamino)methyl]benzoyl]amino]phenyl]acetic acid
CID 119218278
3-[(4-tert-butylbenzoyl)amino]-2-methylpropanoic acid
CID 55105588
N-benzylcyclobutanecarboxamide
CID 730128
2-[[4-[(cyclopentanecarbonylamino)methyl]benzoyl]-ethylamino]acetic acid
CID 119205884
N-[[4-(2-aminoethyl)phenyl]methyl]cyclooctanecarboxamide
CID 65022816
N-[[4-(piperidine-1-carbonyl)phenyl]methyl]cyclopentanecarboxamide
CID 18119554

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[(cyclopentanecarbonylamino)methyl]benzoyl]amino]-2-methylpropanoic acid?
The IUPAC name of 3-[[4-[(cyclopentanecarbonylamino)methyl]benzoyl]amino]-2-methylpropanoic acid (CID 119236774) is 3-[[4-[(cyclopentanecarbonylamino)methyl]benzoyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[[4-[(cyclopentanecarbonylamino)methyl]benzoyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[[4-[(cyclopentanecarbonylamino)methyl]benzoyl]amino]-2-methylpropanoic acid is CC(CNC(=O)c1ccc(CNC(=O)C2CCCC2)cc1)C(=O)O.
What is the InChIKey of 3-[[4-[(cyclopentanecarbonylamino)methyl]benzoyl]amino]-2-methylpropanoic acid?
The InChIKey is OIUMSMFPCFZTOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-12(18(23)24)10-19-17(22)15-8-6-13(7-9-15)11-20-16(21)14-4-2-3-5-14/h6-9,12,14H,2-5,10-11H2,1H3,(H,19,22)(H,20,21)(H,23,24).
What are the key properties of 3-[[4-[(cyclopentanecarbonylamino)methyl]benzoyl]amino]-2-methylpropanoic acid?
3-[[4-[(cyclopentanecarbonylamino)methyl]benzoyl]amino]-2-methylpropanoic acid has a molecular weight of 332.40 g/mol, XLogP of 1.94, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[(cyclopentanecarbonylamino)methyl]benzoyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 119236774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).