2-[[(4-methylthiophene-3-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid

C13H17NO3S — CID 79802782

IUPAC2-[[(4-methylthiophene-3-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
SMILESCc1cscc1C(=O)NCC1CCCC1C(=O)O
InChIInChI=1S/C13H17NO3S/c1-8-6-18-7-11(8)12(15)14-5-9-3-2-4-10(9)13(16)17/h6-7,9-10H,2-5H2,1H3,(H,14,15)(H,16,17)
InChIKeyJRSOMTCKMJMTPF-UHFFFAOYSA-N
MW267.35 g/mol
LogP2.29
Rot. Bonds4

About 2-[[(4-methylthiophene-3-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid

2-[[(4-methylthiophene-3-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid (PubChem CID 79802782) has the molecular formula C13H17NO3S and a molecular weight of 267.35 g/mol. Its IUPAC name is 2-[[(4-methylthiophene-3-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[(4-methylthiophene-3-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
PubChem CID79802782
Molecular FormulaC13H17NO3S
Molecular Weight267.35 g/mol
Exact Mass267.09
IUPAC Name2-[[(4-methylthiophene-3-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
SMILESCc1cscc1C(=O)NCC1CCCC1C(=O)O
InChIInChI=1S/C13H17NO3S/c1-8-6-18-7-11(8)12(15)14-5-9-3-2-4-10(9)13(16)17/h6-7,9-10H,2-5H2,1H3,(H,14,15)(H,16,17)
InChIKeyJRSOMTCKMJMTPF-UHFFFAOYSA-N
XLogP2.29
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(4-methylthiophene-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79803145
2-[(4-methylthiophene-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 79803050
2-[[(4-methyl-1,2-oxazole-5-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 66335551
4-methyl-N-(piperidin-4-ylmethyl)thiophene-3-carboxamide
CID 79808514
2-[[(2,3,4-trifluorobenzoyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 79757270
trans-(1S,2R)-2-[[(3,4-dimethylbenzoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 108732317
N-[(3-chlorocyclopentyl)methyl]-4-methylthiophene-3-carboxamide
CID 106126254
2-[[(2,5-dibromothiophene-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 107949287
N-[2-(bromomethyl)cyclopentyl]-4-methylthiophene-3-carboxamide
CID 106366208
N-(2-bromo-2-cyclopropylethyl)-4-methylthiophene-3-carboxamide
CID 114315738
2-[[(3-methoxypyridine-4-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 105063230
2-[[(2-amino-5-methoxybenzoyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 115413435

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-methylthiophene-3-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[[(4-methylthiophene-3-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid (CID 79802782) is 2-[[(4-methylthiophene-3-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[[(4-methylthiophene-3-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[[(4-methylthiophene-3-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid is Cc1cscc1C(=O)NCC1CCCC1C(=O)O.
What is the InChIKey of 2-[[(4-methylthiophene-3-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid?
The InChIKey is JRSOMTCKMJMTPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3S/c1-8-6-18-7-11(8)12(15)14-5-9-3-2-4-10(9)13(16)17/h6-7,9-10H,2-5H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 2-[[(4-methylthiophene-3-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid?
2-[[(4-methylthiophene-3-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid has a molecular weight of 267.35 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-methylthiophene-3-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 79802782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).