cis-(1R,3S)-3-(1-benzothiophene-3-carbonylamino)cyclopentane-1-carboxylic acid

C15H15NO3S — CID 106320846

IUPACcis-(1R,3S)-3-(1-benzothiophene-3-carbonylamino)cyclopentane-1-carboxylic acid
SMILESO=C(N[C@H]1CC[C@@H](C(=O)O)C1)c1csc2ccccc12
InChIInChI=1S/C15H15NO3S/c17-14(16-10-6-5-9(7-10)15(18)19)12-8-20-13-4-2-1-3-11(12)13/h1-4,8-10H,5-7H2,(H,16,17)(H,18,19)/t9-,10+/m1/s1
InChIKeyNAVCVRPXZMXMFZ-ZJUUUORDSA-N
MW289.36 g/mol
LogP2.88
Rot. Bonds3

About cis-(1R,3S)-3-(1-benzothiophene-3-carbonylamino)cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-(1-benzothiophene-3-carbonylamino)cyclopentane-1-carboxylic acid (PubChem CID 106320846) has the molecular formula C15H15NO3S and a molecular weight of 289.36 g/mol. Its IUPAC name is cis-(1R,3S)-3-(1-benzothiophene-3-carbonylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-(1-benzothiophene-3-carbonylamino)cyclopentane-1-carboxylic acid
PubChem CID106320846
Molecular FormulaC15H15NO3S
Molecular Weight289.36 g/mol
Exact Mass289.08
IUPAC Namecis-(1R,3S)-3-(1-benzothiophene-3-carbonylamino)cyclopentane-1-carboxylic acid
SMILESO=C(N[C@H]1CC[C@@H](C(=O)O)C1)c1csc2ccccc12
InChIInChI=1S/C15H15NO3S/c17-14(16-10-6-5-9(7-10)15(18)19)12-8-20-13-4-2-1-3-11(12)13/h1-4,8-10H,5-7H2,(H,16,17)(H,18,19)/t9-,10+/m1/s1
InChIKeyNAVCVRPXZMXMFZ-ZJUUUORDSA-N
XLogP2.88
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminocyclopentyl)-1-benzothiophene-3-carboxamide
CID 115272862
N-[(3S)-pyrrolidin-3-yl]-1-benzothiophene-3-carboxamide
CID 79688085
N-(1-methylpiperidin-4-yl)-1-benzothiophene-3-carboxamide
CID 25236399
trans-(1R,3R)-3-[(2-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 97318284
4-(1-benzothiophene-3-carbonylamino)cyclopent-2-ene-1-carboxylic acid
CID 79209011
N-(3,3-dimethylcyclopentyl)-1-benzothiophene-3-carboxamide
CID 114550457
cis-(1R,3S)-3-(1H-indole-3-carbonylamino)cyclopentane-1-carboxylic acid
CID 106320270
3-[(2-aminobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 66032352
N-piperidin-3-yl-1-benzothiophene-3-carboxamide;hydrochloride
CID 119426966
N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]-1-benzothiophene-3-carboxamide
CID 24871627
2-(1-benzothiophene-3-carbonyl)-4-methylcyclopentane-1-carboxylic acid
CID 114391837
cis-(1R,3S)-3-[(2-propan-2-ylquinoline-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120678711

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-(1-benzothiophene-3-carbonylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-(1-benzothiophene-3-carbonylamino)cyclopentane-1-carboxylic acid (CID 106320846) is cis-(1R,3S)-3-(1-benzothiophene-3-carbonylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-(1-benzothiophene-3-carbonylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-(1-benzothiophene-3-carbonylamino)cyclopentane-1-carboxylic acid is O=C(N[C@H]1CC[C@@H](C(=O)O)C1)c1csc2ccccc12.
What is the InChIKey of cis-(1R,3S)-3-(1-benzothiophene-3-carbonylamino)cyclopentane-1-carboxylic acid?
The InChIKey is NAVCVRPXZMXMFZ-ZJUUUORDSA-N. The full InChI is InChI=1S/C15H15NO3S/c17-14(16-10-6-5-9(7-10)15(18)19)12-8-20-13-4-2-1-3-11(12)13/h1-4,8-10H,5-7H2,(H,16,17)(H,18,19)/t9-,10+/m1/s1.
What are the key properties of cis-(1R,3S)-3-(1-benzothiophene-3-carbonylamino)cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-(1-benzothiophene-3-carbonylamino)cyclopentane-1-carboxylic acid has a molecular weight of 289.36 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-(1-benzothiophene-3-carbonylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 106320846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).