cis-(1S,3R)-3-(3-thiophen-3-ylpropanoylamino)cyclopentane-1-carboxylic acid

C13H17NO3S — CID 120676488

IUPACcis-(1S,3R)-3-(3-thiophen-3-ylpropanoylamino)cyclopentane-1-carboxylic acid
SMILESO=C(CCc1ccsc1)N[C@@H]1CC[C@H](C(=O)O)C1
InChIInChI=1S/C13H17NO3S/c15-12(4-1-9-5-6-18-8-9)14-11-3-2-10(7-11)13(16)17/h5-6,8,10-11H,1-4,7H2,(H,14,15)(H,16,17)/t10-,11+/m0/s1
InChIKeyHZIMINPJDVBSTJ-WDEREUQCSA-N
MW267.35 g/mol
LogP2.05
Rot. Bonds5

About cis-(1S,3R)-3-(3-thiophen-3-ylpropanoylamino)cyclopentane-1-carboxylic acid

cis-(1S,3R)-3-(3-thiophen-3-ylpropanoylamino)cyclopentane-1-carboxylic acid (PubChem CID 120676488) has the molecular formula C13H17NO3S and a molecular weight of 267.35 g/mol. Its IUPAC name is cis-(1S,3R)-3-(3-thiophen-3-ylpropanoylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,3R)-3-(3-thiophen-3-ylpropanoylamino)cyclopentane-1-carboxylic acid
PubChem CID120676488
Molecular FormulaC13H17NO3S
Molecular Weight267.35 g/mol
Exact Mass267.09
IUPAC Namecis-(1S,3R)-3-(3-thiophen-3-ylpropanoylamino)cyclopentane-1-carboxylic acid
SMILESO=C(CCc1ccsc1)N[C@@H]1CC[C@H](C(=O)O)C1
InChIInChI=1S/C13H17NO3S/c15-12(4-1-9-5-6-18-8-9)14-11-3-2-10(7-11)13(16)17/h5-6,8,10-11H,1-4,7H2,(H,14,15)(H,16,17)/t10-,11+/m0/s1
InChIKeyHZIMINPJDVBSTJ-WDEREUQCSA-N
XLogP2.05
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,3S)-3-(2-thiophen-3-ylethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106319451
N-(2-methylpiperidin-4-yl)-3-thiophen-3-ylpropanamide
CID 120601265
trans-(1S,3S)-3-[3-(4-fluorophenyl)propanoylamino]cyclopentane-1-carboxylic acid
CID 97318343
cis-(1R,3S)-3-[3-(4-ethylphenyl)propanoylamino]cyclopentane-1-carboxylic acid
CID 106321351
N-piperidin-4-yl-3-thiophen-3-ylpropanamide;hydrochloride
CID 119385872
3-[3-(3-chloro-4-methylphenyl)propanoylamino]cyclopentane-1-carboxylic acid
CID 66032315
cis-(1S,3R)-3-[3-(4-bromo-3-methylphenyl)propanoylamino]cyclopentane-1-carboxylic acid
CID 120676009
cis-(1R,3S)-3-[3-(5-phenyl-1H-pyrrol-2-yl)propanoylamino]cyclopentane-1-carboxylic acid
CID 120678122
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-thiophen-3-ylpropanamide
CID 16613440
N-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-thiophen-3-ylpropanamide
CID 94867277
cis-(1R,3S)-3-(6-thiophen-2-ylhexanoylamino)cyclopentane-1-carboxylic acid
CID 120677312
N-[4-(methylamino)cyclohexyl]-2-thiophen-3-ylacetamide
CID 79111056

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-(3-thiophen-3-ylpropanoylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1S,3R)-3-(3-thiophen-3-ylpropanoylamino)cyclopentane-1-carboxylic acid (CID 120676488) is cis-(1S,3R)-3-(3-thiophen-3-ylpropanoylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,3R)-3-(3-thiophen-3-ylpropanoylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1S,3R)-3-(3-thiophen-3-ylpropanoylamino)cyclopentane-1-carboxylic acid is O=C(CCc1ccsc1)N[C@@H]1CC[C@H](C(=O)O)C1.
What is the InChIKey of cis-(1S,3R)-3-(3-thiophen-3-ylpropanoylamino)cyclopentane-1-carboxylic acid?
The InChIKey is HZIMINPJDVBSTJ-WDEREUQCSA-N. The full InChI is InChI=1S/C13H17NO3S/c15-12(4-1-9-5-6-18-8-9)14-11-3-2-10(7-11)13(16)17/h5-6,8,10-11H,1-4,7H2,(H,14,15)(H,16,17)/t10-,11+/m0/s1.
What are the key properties of cis-(1S,3R)-3-(3-thiophen-3-ylpropanoylamino)cyclopentane-1-carboxylic acid?
cis-(1S,3R)-3-(3-thiophen-3-ylpropanoylamino)cyclopentane-1-carboxylic acid has a molecular weight of 267.35 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-(3-thiophen-3-ylpropanoylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 120676488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).