2-[(3-methoxy-5-methylthiophene-2-carbonyl)amino]propanoic acid

C10H13NO4S — CID 115731160

IUPAC2-[(3-methoxy-5-methylthiophene-2-carbonyl)amino]propanoic acid
SMILESCOc1cc(C)sc1C(=O)NC(C)C(=O)O
InChIInChI=1S/C10H13NO4S/c1-5-4-7(15-3)8(16-5)9(12)11-6(2)10(13)14/h4,6H,1-3H3,(H,11,12)(H,13,14)
InChIKeyDWZPPPGAIMUGOF-UHFFFAOYSA-N
MW243.28 g/mol
LogP1.27
Rot. Bonds4

About 2-[(3-methoxy-5-methylthiophene-2-carbonyl)amino]propanoic acid

2-[(3-methoxy-5-methylthiophene-2-carbonyl)amino]propanoic acid (PubChem CID 115731160) has the molecular formula C10H13NO4S and a molecular weight of 243.28 g/mol. Its IUPAC name is 2-[(3-methoxy-5-methylthiophene-2-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(3-methoxy-5-methylthiophene-2-carbonyl)amino]propanoic acid
PubChem CID115731160
Molecular FormulaC10H13NO4S
Molecular Weight243.28 g/mol
Exact Mass243.06
IUPAC Name2-[(3-methoxy-5-methylthiophene-2-carbonyl)amino]propanoic acid
SMILESCOc1cc(C)sc1C(=O)NC(C)C(=O)O
InChIInChI=1S/C10H13NO4S/c1-5-4-7(15-3)8(16-5)9(12)11-6(2)10(13)14/h4,6H,1-3H3,(H,11,12)(H,13,14)
InChIKeyDWZPPPGAIMUGOF-UHFFFAOYSA-N
XLogP1.27
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-5-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 166205739
3-methoxy-5-methylthiophene-2-carbonyl chloride
CID 45081654
(2R)-2-[(2-bromo-5-methylthiophene-3-carbonyl)amino]propanoic acid
CID 119370174
(2S)-2-[(4,5-dichloro-2-methoxybenzoyl)amino]propanoic acid
CID 119942883
N-[(2,4-difluorophenyl)-(3-hydroxycyclobutyl)methyl]-3-methoxy-5-methylthiophene-2-carboxamide
CID 91763964
(2S)-2-[(4,7-dimethoxy-1H-indole-2-carbonyl)amino]propanoic acid
CID 51342241
(2S)-2-[(4-chloro-3-methoxybenzoyl)amino]propanoic acid
CID 120525982
(2R)-2-[(4-fluoro-3-methoxybenzoyl)amino]propanoic acid
CID 81283790
(2R)-2-[(4-amino-2-methoxybenzoyl)amino]propanoic acid
CID 107207808
2-[(4-chloro-3-methoxybenzoyl)amino]propanoic acid
CID 120523671
3-methoxy-5-methyl-N-pyrrolidin-3-ylthiophene-2-carboxamide
CID 119453724
(2S)-2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 39315129

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxy-5-methylthiophene-2-carbonyl)amino]propanoic acid?
The IUPAC name of 2-[(3-methoxy-5-methylthiophene-2-carbonyl)amino]propanoic acid (CID 115731160) is 2-[(3-methoxy-5-methylthiophene-2-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-[(3-methoxy-5-methylthiophene-2-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-[(3-methoxy-5-methylthiophene-2-carbonyl)amino]propanoic acid is COc1cc(C)sc1C(=O)NC(C)C(=O)O.
What is the InChIKey of 2-[(3-methoxy-5-methylthiophene-2-carbonyl)amino]propanoic acid?
The InChIKey is DWZPPPGAIMUGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4S/c1-5-4-7(15-3)8(16-5)9(12)11-6(2)10(13)14/h4,6H,1-3H3,(H,11,12)(H,13,14).
What are the key properties of 2-[(3-methoxy-5-methylthiophene-2-carbonyl)amino]propanoic acid?
2-[(3-methoxy-5-methylthiophene-2-carbonyl)amino]propanoic acid has a molecular weight of 243.28 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxy-5-methylthiophene-2-carbonyl)amino]propanoic acid is sourced from PubChem (CID 115731160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).