2-[(4-methoxythiophene-2-carbonyl)amino]-2-methylpentanoic acid

C12H17NO4S — CID 81118104

IUPAC2-[(4-methoxythiophene-2-carbonyl)amino]-2-methylpentanoic acid
SMILESCCCC(C)(NC(=O)c1cc(OC)cs1)C(=O)O
InChIInChI=1S/C12H17NO4S/c1-4-5-12(2,11(15)16)13-10(14)9-6-8(17-3)7-18-9/h6-7H,4-5H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyCIGBEFWJEYIUQV-UHFFFAOYSA-N
MW271.34 g/mol
LogP2.13
Rot. Bonds6

About 2-[(4-methoxythiophene-2-carbonyl)amino]-2-methylpentanoic acid

2-[(4-methoxythiophene-2-carbonyl)amino]-2-methylpentanoic acid (PubChem CID 81118104) has the molecular formula C12H17NO4S and a molecular weight of 271.34 g/mol. Its IUPAC name is 2-[(4-methoxythiophene-2-carbonyl)amino]-2-methylpentanoic acid.

Molecular Properties

Compound Name2-[(4-methoxythiophene-2-carbonyl)amino]-2-methylpentanoic acid
PubChem CID81118104
Molecular FormulaC12H17NO4S
Molecular Weight271.34 g/mol
Exact Mass271.09
IUPAC Name2-[(4-methoxythiophene-2-carbonyl)amino]-2-methylpentanoic acid
SMILESCCCC(C)(NC(=O)c1cc(OC)cs1)C(=O)O
InChIInChI=1S/C12H17NO4S/c1-4-5-12(2,11(15)16)13-10(14)9-6-8(17-3)7-18-9/h6-7H,4-5H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyCIGBEFWJEYIUQV-UHFFFAOYSA-N
XLogP2.13
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-4-methoxythiophene-2-carboxamide
CID 81122518
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-4-methoxythiophene-2-carboxamide
CID 113347714
2-[(2,4-dimethoxybenzoyl)amino]-2-methylpentanoic acid
CID 43618581
(2S)-2-[(4-methoxythiophene-2-carbonyl)amino]pentanoic acid
CID 107564238
2-[(3,5-dichloro-4-methoxybenzoyl)amino]-2-methylpentanoic acid
CID 43619029
2-[[(4-methoxythiophene-2-carbonyl)amino]methyl]pentanoic acid
CID 81127214
2-[(3,5-dihydroxybenzoyl)amino]-2-methylpentanoic acid
CID 107702413
2-methyl-2-[(5-nitrothiophene-3-carbonyl)amino]pentanoic acid
CID 60811704
4-methoxy-N-[2-(methylamino)ethyl]thiophene-2-carboxamide
CID 81122879
2-[(4-methoxyphenyl)methylamino]-2-methylpentanoic acid
CID 43619594
2-[(3-ethoxybenzoyl)amino]-2-methylpentanoic acid
CID 119192325
N-[(E)-4-chlorobut-2-enyl]-4-methoxythiophene-2-carboxamide
CID 81429900

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxythiophene-2-carbonyl)amino]-2-methylpentanoic acid?
The IUPAC name of 2-[(4-methoxythiophene-2-carbonyl)amino]-2-methylpentanoic acid (CID 81118104) is 2-[(4-methoxythiophene-2-carbonyl)amino]-2-methylpentanoic acid.
What is the SMILES notation for 2-[(4-methoxythiophene-2-carbonyl)amino]-2-methylpentanoic acid?
The canonical SMILES for 2-[(4-methoxythiophene-2-carbonyl)amino]-2-methylpentanoic acid is CCCC(C)(NC(=O)c1cc(OC)cs1)C(=O)O.
What is the InChIKey of 2-[(4-methoxythiophene-2-carbonyl)amino]-2-methylpentanoic acid?
The InChIKey is CIGBEFWJEYIUQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4S/c1-4-5-12(2,11(15)16)13-10(14)9-6-8(17-3)7-18-9/h6-7H,4-5H2,1-3H3,(H,13,14)(H,15,16).
What are the key properties of 2-[(4-methoxythiophene-2-carbonyl)amino]-2-methylpentanoic acid?
2-[(4-methoxythiophene-2-carbonyl)amino]-2-methylpentanoic acid has a molecular weight of 271.34 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxythiophene-2-carbonyl)amino]-2-methylpentanoic acid is sourced from PubChem (CID 81118104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).