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

C13H16N2O4S — CID 120676600

IUPACcis-(1S,3R)-3-[[2-(thiophene-2-carbonylamino)acetyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(CNC(=O)c1cccs1)N[C@@H]1CC[C@H](C(=O)O)C1
InChIInChI=1S/C13H16N2O4S/c16-11(7-14-12(17)10-2-1-5-20-10)15-9-4-3-8(6-9)13(18)19/h1-2,5,8-9H,3-4,6-7H2,(H,14,17)(H,15,16)(H,18,19)/t8-,9+/m0/s1
InChIKeyYHLPWYDOGCWZLA-DTWKUNHWSA-N
MW296.35 g/mol
LogP0.85
Rot. Bonds5

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

cis-(1S,3R)-3-[[2-(thiophene-2-carbonylamino)acetyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 120676600) has the molecular formula C13H16N2O4S and a molecular weight of 296.35 g/mol. Its IUPAC name is cis-(1S,3R)-3-[[2-(thiophene-2-carbonylamino)acetyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,3R)-3-[[2-(thiophene-2-carbonylamino)acetyl]amino]cyclopentane-1-carboxylic acid
PubChem CID120676600
Molecular FormulaC13H16N2O4S
Molecular Weight296.35 g/mol
Exact Mass296.08
IUPAC Namecis-(1S,3R)-3-[[2-(thiophene-2-carbonylamino)acetyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(CNC(=O)c1cccs1)N[C@@H]1CC[C@H](C(=O)O)C1
InChIInChI=1S/C13H16N2O4S/c16-11(7-14-12(17)10-2-1-5-20-10)15-9-4-3-8(6-9)13(18)19/h1-2,5,8-9H,3-4,6-7H2,(H,14,17)(H,15,16)(H,18,19)/t8-,9+/m0/s1
InChIKeyYHLPWYDOGCWZLA-DTWKUNHWSA-N
XLogP0.85
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze cis-(1S,3R)-3-[[2-(thiophene-2-carbonylamino)acetyl]amino]cyclopentane-1-carboxylic acid with MolForge

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Related Compounds

N-[2-(cyclooctylamino)-2-oxoethyl]thiophene-2-carboxamide
CID 4082368
cis-(1R,3S)-3-[[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]cyclopentane-1-carboxylic acid
CID 106320873
N-[2-oxo-2-[(1-propylpiperidin-4-yl)amino]ethyl]thiophene-2-carboxamide
CID 9264745
N-[2-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 11896927
N-[4-(cyclopropylamino)-4-oxobutyl]thiophene-2-carboxamide
CID 51180198
cis-(1R,3S)-3-[[2-[(3-fluorobenzoyl)amino]acetyl]amino]cyclopentane-1-carboxylic acid
CID 120678933
cis-(1R,3S)-3-(6-thiophen-2-ylhexanoylamino)cyclopentane-1-carboxylic acid
CID 120677312
N-[2-[3-(cyclopropanecarbonylamino)anilino]-2-oxoethyl]thiophene-2-carboxamide
CID 38325683
1-[2-(thiophene-2-carbonylamino)acetyl]piperidine-2-carboxylic acid
CID 43356026
N-[3-[(2-methylpiperidin-4-yl)amino]-3-oxopropyl]thiophene-2-carboxamide;hydrochloride
CID 120598256
N-[2-[[cyclopentyl(thiophen-2-yl)methyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 42960858
cis-(1R,3S)-3-[[2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]acetyl]amino]cyclopentane-1-carboxylic acid
CID 120678938

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-[[2-(thiophene-2-carbonylamino)acetyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1S,3R)-3-[[2-(thiophene-2-carbonylamino)acetyl]amino]cyclopentane-1-carboxylic acid (CID 120676600) is cis-(1S,3R)-3-[[2-(thiophene-2-carbonylamino)acetyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,3R)-3-[[2-(thiophene-2-carbonylamino)acetyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1S,3R)-3-[[2-(thiophene-2-carbonylamino)acetyl]amino]cyclopentane-1-carboxylic acid is O=C(CNC(=O)c1cccs1)N[C@@H]1CC[C@H](C(=O)O)C1.
What is the InChIKey of cis-(1S,3R)-3-[[2-(thiophene-2-carbonylamino)acetyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is YHLPWYDOGCWZLA-DTWKUNHWSA-N. The full InChI is InChI=1S/C13H16N2O4S/c16-11(7-14-12(17)10-2-1-5-20-10)15-9-4-3-8(6-9)13(18)19/h1-2,5,8-9H,3-4,6-7H2,(H,14,17)(H,15,16)(H,18,19)/t8-,9+/m0/s1.
What are the key properties of cis-(1S,3R)-3-[[2-(thiophene-2-carbonylamino)acetyl]amino]cyclopentane-1-carboxylic acid?
cis-(1S,3R)-3-[[2-(thiophene-2-carbonylamino)acetyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 296.35 g/mol, XLogP of 0.85, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-[[2-(thiophene-2-carbonylamino)acetyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 120676600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).