cis-(1S,3R)-3-[[3-methyl-2-[(3-methylbenzoyl)amino]butanoyl]amino]cyclopentane-1-carboxylic acid

C19H26N2O4 — CID 120675496

IUPACcis-(1S,3R)-3-[[3-methyl-2-[(3-methylbenzoyl)amino]butanoyl]amino]cyclopentane-1-carboxylic acid
SMILESCc1cccc(C(=O)NC(C(=O)N[C@@H]2CC[C@H](C(=O)O)C2)C(C)C)c1
InChIInChI=1S/C19H26N2O4/c1-11(2)16(21-17(22)13-6-4-5-12(3)9-13)18(23)20-15-8-7-14(10-15)19(24)25/h4-6,9,11,14-16H,7-8,10H2,1-3H3,(H,20,23)(H,21,22)(H,24,25)/t14-,15+,16?/m0/s1
InChIKeyDDBHFXCMFNRVSC-QMRHZFGWSA-N
MW346.43 g/mol
LogP2.12
Rot. Bonds6

About cis-(1S,3R)-3-[[3-methyl-2-[(3-methylbenzoyl)amino]butanoyl]amino]cyclopentane-1-carboxylic acid

cis-(1S,3R)-3-[[3-methyl-2-[(3-methylbenzoyl)amino]butanoyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 120675496) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is cis-(1S,3R)-3-[[3-methyl-2-[(3-methylbenzoyl)amino]butanoyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,3R)-3-[[3-methyl-2-[(3-methylbenzoyl)amino]butanoyl]amino]cyclopentane-1-carboxylic acid
PubChem CID120675496
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Namecis-(1S,3R)-3-[[3-methyl-2-[(3-methylbenzoyl)amino]butanoyl]amino]cyclopentane-1-carboxylic acid
SMILESCc1cccc(C(=O)NC(C(=O)N[C@@H]2CC[C@H](C(=O)O)C2)C(C)C)c1
InChIInChI=1S/C19H26N2O4/c1-11(2)16(21-17(22)13-6-4-5-12(3)9-13)18(23)20-15-8-7-14(10-15)19(24)25/h4-6,9,11,14-16H,7-8,10H2,1-3H3,(H,20,23)(H,21,22)(H,24,25)/t14-,15+,16?/m0/s1
InChIKeyDDBHFXCMFNRVSC-QMRHZFGWSA-N
XLogP2.12
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze cis-(1S,3R)-3-[[3-methyl-2-[(3-methylbenzoyl)amino]butanoyl]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

N-[1-[(4-ethylcyclohexyl)amino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 112816379
cis-(1S,3R)-3-[[2-[(3,5-dimethoxybenzoyl)amino]-3-methylbutanoyl]amino]cyclopentane-1-carboxylic acid
CID 120676112
N-[1-[4-(cyclopropylcarbamoyl)anilino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 46553767
cis-(1S,3R)-3-[[2-[(2-chlorobenzoyl)amino]-3-methylbutanoyl]amino]cyclopentane-1-carboxylic acid
CID 120674933
N-[1-[[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]amino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 111661353
cis-(1R,3S)-3-[[2-[(2-methoxybenzoyl)amino]-3-methylbutanoyl]amino]cyclopentane-1-carboxylic acid
CID 120679021
(7S,11S)-7-[[3-methyl-2-[(3-methylbenzoyl)amino]butanoyl]amino]-9-oxo-1-azatricyclo[6.4.1.04,13]trideca-2,4(13)-diene-11-carboxylic acid
CID 155317472
3-methyl-N-(3-methylcyclopentyl)benzamide
CID 114550136
N-[1-(1-hydroxypropan-2-ylamino)-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 78856876
N-[(2R)-1-[[(1S,2R,3R)-3-ethoxy-2-methoxycyclobutyl]amino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 124741877
3-methyl-N-[3-methyl-1-[2-(4-methylbenzoyl)hydrazinyl]-1-oxobutan-2-yl]benzamide
CID 3919452
3-methyl-N-[3-methyl-1-(2-methylanilino)-1-oxobutan-2-yl]benzamide
CID 51148319

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-[[3-methyl-2-[(3-methylbenzoyl)amino]butanoyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1S,3R)-3-[[3-methyl-2-[(3-methylbenzoyl)amino]butanoyl]amino]cyclopentane-1-carboxylic acid (CID 120675496) is cis-(1S,3R)-3-[[3-methyl-2-[(3-methylbenzoyl)amino]butanoyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,3R)-3-[[3-methyl-2-[(3-methylbenzoyl)amino]butanoyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1S,3R)-3-[[3-methyl-2-[(3-methylbenzoyl)amino]butanoyl]amino]cyclopentane-1-carboxylic acid is Cc1cccc(C(=O)NC(C(=O)N[C@@H]2CC[C@H](C(=O)O)C2)C(C)C)c1.
What is the InChIKey of cis-(1S,3R)-3-[[3-methyl-2-[(3-methylbenzoyl)amino]butanoyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is DDBHFXCMFNRVSC-QMRHZFGWSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-11(2)16(21-17(22)13-6-4-5-12(3)9-13)18(23)20-15-8-7-14(10-15)19(24)25/h4-6,9,11,14-16H,7-8,10H2,1-3H3,(H,20,23)(H,21,22)(H,24,25)/t14-,15+,16?/m0/s1.
What are the key properties of cis-(1S,3R)-3-[[3-methyl-2-[(3-methylbenzoyl)amino]butanoyl]amino]cyclopentane-1-carboxylic acid?
cis-(1S,3R)-3-[[3-methyl-2-[(3-methylbenzoyl)amino]butanoyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 346.43 g/mol, XLogP of 2.12, 6 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-methyl-2-[(3-methylbenzoyl)amino]butanoyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 120675496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).