trans-(1S,3S)-3-[(3-methylthiophene-2-carbonyl)amino]cyclopentane-1-carboxylic acid

C12H15NO3S — CID 97318295

IUPACtrans-(1S,3S)-3-[(3-methylthiophene-2-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESCc1ccsc1C(=O)N[C@H]1CC[C@H](C(=O)O)C1
InChIInChI=1S/C12H15NO3S/c1-7-4-5-17-10(7)11(14)13-9-3-2-8(6-9)12(15)16/h4-5,8-9H,2-3,6H2,1H3,(H,13,14)(H,15,16)/t8-,9-/m0/s1
InChIKeyFJYBTCQQFZJQPN-IUCAKERBSA-N
MW253.32 g/mol
LogP2.04
Rot. Bonds3

About trans-(1S,3S)-3-[(3-methylthiophene-2-carbonyl)amino]cyclopentane-1-carboxylic acid

trans-(1S,3S)-3-[(3-methylthiophene-2-carbonyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 97318295) has the molecular formula C12H15NO3S and a molecular weight of 253.32 g/mol. Its IUPAC name is trans-(1S,3S)-3-[(3-methylthiophene-2-carbonyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1S,3S)-3-[(3-methylthiophene-2-carbonyl)amino]cyclopentane-1-carboxylic acid
PubChem CID97318295
Molecular FormulaC12H15NO3S
Molecular Weight253.32 g/mol
Exact Mass253.08
IUPAC Nametrans-(1S,3S)-3-[(3-methylthiophene-2-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESCc1ccsc1C(=O)N[C@H]1CC[C@H](C(=O)O)C1
InChIInChI=1S/C12H15NO3S/c1-7-4-5-17-10(7)11(14)13-9-3-2-8(6-9)12(15)16/h4-5,8-9H,2-3,6H2,1H3,(H,13,14)(H,15,16)/t8-,9-/m0/s1
InChIKeyFJYBTCQQFZJQPN-IUCAKERBSA-N
XLogP2.04
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,3S)-3-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 106320257
cis-(1R,2S)-2-[(3-methylthiophene-2-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 97161349
cis-(1S,3R)-3-[(4-methyl-1,3-thiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 97318338
4-[[3-(4-methylphenyl)thiophene-2-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 119229187
3-[(3-bromothiophene-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 63802421
3-[[2-(3-methylthiophen-2-yl)cyclopropanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 91660012
N-[(3S)-1,1-dioxothiolan-3-yl]-3-methylthiophene-2-carboxamide
CID 30789391
N-(3,3-dimethylcyclopentyl)-3-methylthiophene-2-carboxamide
CID 115880667
N-(1-ethylpiperidin-4-yl)-3-methylthiophene-2-carboxamide
CID 30768194
cis-(1R,3S)-3-[(2,6-difluoro-3-methylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106321294
cis-(1R,3S)-3-[(3,5-dimethylfuran-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120678770
cis-(1S,3R)-3-[(2-benzyl-4-methyl-1,3-thiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120675305

Frequently Asked Questions

What is the IUPAC name of trans-(1S,3S)-3-[(3-methylthiophene-2-carbonyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of trans-(1S,3S)-3-[(3-methylthiophene-2-carbonyl)amino]cyclopentane-1-carboxylic acid (CID 97318295) is trans-(1S,3S)-3-[(3-methylthiophene-2-carbonyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for trans-(1S,3S)-3-[(3-methylthiophene-2-carbonyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for trans-(1S,3S)-3-[(3-methylthiophene-2-carbonyl)amino]cyclopentane-1-carboxylic acid is Cc1ccsc1C(=O)N[C@H]1CC[C@H](C(=O)O)C1.
What is the InChIKey of trans-(1S,3S)-3-[(3-methylthiophene-2-carbonyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is FJYBTCQQFZJQPN-IUCAKERBSA-N. The full InChI is InChI=1S/C12H15NO3S/c1-7-4-5-17-10(7)11(14)13-9-3-2-8(6-9)12(15)16/h4-5,8-9H,2-3,6H2,1H3,(H,13,14)(H,15,16)/t8-,9-/m0/s1.
What are the key properties of trans-(1S,3S)-3-[(3-methylthiophene-2-carbonyl)amino]cyclopentane-1-carboxylic acid?
trans-(1S,3S)-3-[(3-methylthiophene-2-carbonyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 253.32 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,3S)-3-[(3-methylthiophene-2-carbonyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 97318295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).