cis-(1R,3S)-3-[[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]cyclopentane-1-carboxylic acid

C14H18N2O4S — CID 106320873

IUPACcis-(1R,3S)-3-[[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]cyclopentane-1-carboxylic acid
SMILESCN(CC(=O)N[C@H]1CC[C@@H](C(=O)O)C1)C(=O)c1cccs1
InChIInChI=1S/C14H18N2O4S/c1-16(13(18)11-3-2-6-21-11)8-12(17)15-10-5-4-9(7-10)14(19)20/h2-3,6,9-10H,4-5,7-8H2,1H3,(H,15,17)(H,19,20)/t9-,10+/m1/s1
InChIKeyQMQCEPMZAIESCQ-ZJUUUORDSA-N
MW310.38 g/mol
LogP1.19
Rot. Bonds5

About cis-(1R,3S)-3-[[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-[[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 106320873) has the molecular formula C14H18N2O4S and a molecular weight of 310.38 g/mol. Its IUPAC name is cis-(1R,3S)-3-[[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]cyclopentane-1-carboxylic acid
PubChem CID106320873
Molecular FormulaC14H18N2O4S
Molecular Weight310.38 g/mol
Exact Mass310.10
IUPAC Namecis-(1R,3S)-3-[[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]cyclopentane-1-carboxylic acid
SMILESCN(CC(=O)N[C@H]1CC[C@@H](C(=O)O)C1)C(=O)c1cccs1
InChIInChI=1S/C14H18N2O4S/c1-16(13(18)11-3-2-6-21-11)8-12(17)15-10-5-4-9(7-10)14(19)20/h2-3,6,9-10H,4-5,7-8H2,1H3,(H,15,17)(H,19,20)/t9-,10+/m1/s1
InChIKeyQMQCEPMZAIESCQ-ZJUUUORDSA-N
XLogP1.19
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze cis-(1R,3S)-3-[[2-[methyl(thiophene-2-carbonyl)amino]acetyl]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-methyl-N-[2-[(3-methylcyclopentyl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 114549410
N-[2-[(4-aminocyclohexyl)amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 119476525
N-[2-(8-azabicyclo[3.2.1]octan-3-ylamino)-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 119457150
cis-(1S,3R)-3-[[2-(thiophene-2-carbonylamino)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120676600
4-[[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]oxolane-3-carboxylic acid
CID 66221609
2-cyclopropyl-2-[[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]acetic acid
CID 62695136
5-methyl-1-[2-[methyl(thiophene-2-carbonyl)amino]acetyl]piperidine-3-carboxylic acid
CID 122118795
2-hydroxy-3-[[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]propanoic acid
CID 66167883
N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-thiophen-2-ylacetamide
CID 47013772
N-[2-[[(1R,1aR,7bR)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl]amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 97237562
N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-3-phenylthiophene-2-carboxamide
CID 78808757
cis-(1R,3S)-3-[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120679060

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]cyclopentane-1-carboxylic acid (CID 106320873) is cis-(1R,3S)-3-[[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]cyclopentane-1-carboxylic acid is CN(CC(=O)N[C@H]1CC[C@@H](C(=O)O)C1)C(=O)c1cccs1.
What is the InChIKey of cis-(1R,3S)-3-[[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is QMQCEPMZAIESCQ-ZJUUUORDSA-N. The full InChI is InChI=1S/C14H18N2O4S/c1-16(13(18)11-3-2-6-21-11)8-12(17)15-10-5-4-9(7-10)14(19)20/h2-3,6,9-10H,4-5,7-8H2,1H3,(H,15,17)(H,19,20)/t9-,10+/m1/s1.
What are the key properties of cis-(1R,3S)-3-[[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-[[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 310.38 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 106320873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).