2-[[(4-methoxythiophene-2-carbonyl)amino]methyl]pentanoic acid

C12H17NO4S — CID 81127214

IUPAC2-[[(4-methoxythiophene-2-carbonyl)amino]methyl]pentanoic acid
SMILESCCCC(CNC(=O)c1cc(OC)cs1)C(=O)O
InChIInChI=1S/C12H17NO4S/c1-3-4-8(12(15)16)6-13-11(14)10-5-9(17-2)7-18-10/h5,7-8H,3-4,6H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyCBOMLDIPGRUQDQ-UHFFFAOYSA-N
MW271.34 g/mol
LogP1.99
Rot. Bonds7

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

2-[[(4-methoxythiophene-2-carbonyl)amino]methyl]pentanoic acid (PubChem CID 81127214) has the molecular formula C12H17NO4S and a molecular weight of 271.34 g/mol. Its IUPAC name is 2-[[(4-methoxythiophene-2-carbonyl)amino]methyl]pentanoic acid.

Molecular Properties

Compound Name2-[[(4-methoxythiophene-2-carbonyl)amino]methyl]pentanoic acid
PubChem CID81127214
Molecular FormulaC12H17NO4S
Molecular Weight271.34 g/mol
Exact Mass271.09
IUPAC Name2-[[(4-methoxythiophene-2-carbonyl)amino]methyl]pentanoic acid
SMILESCCCC(CNC(=O)c1cc(OC)cs1)C(=O)O
InChIInChI=1S/C12H17NO4S/c1-3-4-8(12(15)16)6-13-11(14)10-5-9(17-2)7-18-10/h5,7-8H,3-4,6H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyCBOMLDIPGRUQDQ-UHFFFAOYSA-N
XLogP1.99
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(4-methoxythiophene-2-carbonyl)amino]pentanoic acid
CID 107564238
N-(2-hydroxypropyl)-4-methoxythiophene-2-carboxamide
CID 81121281
N-(2-aminobutyl)-4-methoxythiophene-2-carboxamide
CID 81118589
N-(2-chloro-3-ethylpentyl)-4-methoxythiophene-2-carboxamide
CID 114168656
N-(2-amino-3-hydroxybutyl)-4-methoxythiophene-2-carboxamide
CID 81119658
N-(3-chlorobutyl)-4-methoxythiophene-2-carboxamide
CID 114301701
N-(4-hydroxybutyl)-4-methoxythiophene-2-carboxamide
CID 106843518
4-methoxy-N-[2-(methylamino)ethyl]thiophene-2-carboxamide
CID 81122879
2-[[(3,5-dichloro-4-methoxybenzoyl)amino]methyl]pentanoic acid
CID 65218880
N-(4-hydroxybutan-2-yl)-4-methoxythiophene-2-carboxamide
CID 115283653
4-amino-2-[(4-methoxythiophene-2-carbonyl)amino]-4-oxobutanoic acid
CID 81117804
2-[(4-methoxythiophene-2-carbonyl)amino]-2-methylpentanoic acid
CID 81118104

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-methoxythiophene-2-carbonyl)amino]methyl]pentanoic acid?
The IUPAC name of 2-[[(4-methoxythiophene-2-carbonyl)amino]methyl]pentanoic acid (CID 81127214) is 2-[[(4-methoxythiophene-2-carbonyl)amino]methyl]pentanoic acid.
What is the SMILES notation for 2-[[(4-methoxythiophene-2-carbonyl)amino]methyl]pentanoic acid?
The canonical SMILES for 2-[[(4-methoxythiophene-2-carbonyl)amino]methyl]pentanoic acid is CCCC(CNC(=O)c1cc(OC)cs1)C(=O)O.
What is the InChIKey of 2-[[(4-methoxythiophene-2-carbonyl)amino]methyl]pentanoic acid?
The InChIKey is CBOMLDIPGRUQDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4S/c1-3-4-8(12(15)16)6-13-11(14)10-5-9(17-2)7-18-10/h5,7-8H,3-4,6H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 2-[[(4-methoxythiophene-2-carbonyl)amino]methyl]pentanoic acid?
2-[[(4-methoxythiophene-2-carbonyl)amino]methyl]pentanoic acid has a molecular weight of 271.34 g/mol, XLogP of 1.99, 7 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]methyl]pentanoic acid is sourced from PubChem (CID 81127214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).