cis-(1S,3R)-3-[(3-benzamido-4-methylbenzoyl)amino]cyclopentane-1-carboxylic acid

C21H22N2O4 — CID 120676239

IUPACcis-(1S,3R)-3-[(3-benzamido-4-methylbenzoyl)amino]cyclopentane-1-carboxylic acid
SMILESCc1ccc(C(=O)N[C@@H]2CC[C@H](C(=O)O)C2)cc1NC(=O)c1ccccc1
InChIInChI=1S/C21H22N2O4/c1-13-7-8-15(20(25)22-17-10-9-16(11-17)21(26)27)12-18(13)23-19(24)14-5-3-2-4-6-14/h2-8,12,16-17H,9-11H2,1H3,(H,22,25)(H,23,24)(H,26,27)/t16-,17+/m0/s1
InChIKeyRQNVHGKOIOCFBS-DLBZAZTESA-N
MW366.42 g/mol
LogP3.23
Rot. Bonds5

About cis-(1S,3R)-3-[(3-benzamido-4-methylbenzoyl)amino]cyclopentane-1-carboxylic acid

cis-(1S,3R)-3-[(3-benzamido-4-methylbenzoyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 120676239) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is cis-(1S,3R)-3-[(3-benzamido-4-methylbenzoyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,3R)-3-[(3-benzamido-4-methylbenzoyl)amino]cyclopentane-1-carboxylic acid
PubChem CID120676239
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Namecis-(1S,3R)-3-[(3-benzamido-4-methylbenzoyl)amino]cyclopentane-1-carboxylic acid
SMILESCc1ccc(C(=O)N[C@@H]2CC[C@H](C(=O)O)C2)cc1NC(=O)c1ccccc1
InChIInChI=1S/C21H22N2O4/c1-13-7-8-15(20(25)22-17-10-9-16(11-17)21(26)27)12-18(13)23-19(24)14-5-3-2-4-6-14/h2-8,12,16-17H,9-11H2,1H3,(H,22,25)(H,23,24)(H,26,27)/t16-,17+/m0/s1
InChIKeyRQNVHGKOIOCFBS-DLBZAZTESA-N
XLogP3.23
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze cis-(1S,3R)-3-[(3-benzamido-4-methylbenzoyl)amino]cyclopentane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[3-[(2-fluorobenzoyl)amino]-4-methylbenzoyl]amino]cyclohexane-1-carboxylic acid
CID 119230189
3-benzamido-N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-4-methylbenzamide
CID 55878666
2-[[5-(cyclopropylcarbamoyl)-2-methylphenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120974842
3-[(3-fluoro-4-methylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 66032533
N-(2-adamantyl)-3-benzamido-4-methylbenzamide
CID 78862723
cis-(1R,3S)-3-[(4-fluoro-3-methylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 97318365
N-[2-(aminomethyl)cyclopentyl]-3-benzamido-4-methylbenzamide
CID 119603863
3-benzamido-N,4-dimethylbenzamide
CID 17226324
1-(3-benzamido-4-methylbenzoyl)pyrrolidine-3-carboxylic acid
CID 119354954
cis-(1R,3S)-3-[(3-hydroxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106320931
cis-(1R,3S)-3-[(4-methyl-3-methylsulfonylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120678433
cis-(1R,3S)-3-[(3-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106320533

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-[(3-benzamido-4-methylbenzoyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1S,3R)-3-[(3-benzamido-4-methylbenzoyl)amino]cyclopentane-1-carboxylic acid (CID 120676239) is cis-(1S,3R)-3-[(3-benzamido-4-methylbenzoyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,3R)-3-[(3-benzamido-4-methylbenzoyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1S,3R)-3-[(3-benzamido-4-methylbenzoyl)amino]cyclopentane-1-carboxylic acid is Cc1ccc(C(=O)N[C@@H]2CC[C@H](C(=O)O)C2)cc1NC(=O)c1ccccc1.
What is the InChIKey of cis-(1S,3R)-3-[(3-benzamido-4-methylbenzoyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is RQNVHGKOIOCFBS-DLBZAZTESA-N. The full InChI is InChI=1S/C21H22N2O4/c1-13-7-8-15(20(25)22-17-10-9-16(11-17)21(26)27)12-18(13)23-19(24)14-5-3-2-4-6-14/h2-8,12,16-17H,9-11H2,1H3,(H,22,25)(H,23,24)(H,26,27)/t16-,17+/m0/s1.
What are the key properties of cis-(1S,3R)-3-[(3-benzamido-4-methylbenzoyl)amino]cyclopentane-1-carboxylic acid?
cis-(1S,3R)-3-[(3-benzamido-4-methylbenzoyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 366.42 g/mol, XLogP of 3.23, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-[(3-benzamido-4-methylbenzoyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 120676239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).