2-hydroxy-3-[(3-methoxythiophene-2-carbonyl)amino]propanoic acid

C9H11NO5S — CID 81127121

IUPAC2-hydroxy-3-[(3-methoxythiophene-2-carbonyl)amino]propanoic acid
SMILESCOc1ccsc1C(=O)NCC(O)C(=O)O
InChIInChI=1S/C9H11NO5S/c1-15-6-2-3-16-7(6)8(12)10-4-5(11)9(13)14/h2-3,5,11H,4H2,1H3,(H,10,12)(H,13,14)
InChIKeyAMMCDUDCMAWNRD-UHFFFAOYSA-N
MW245.26 g/mol
LogP-0.07
Rot. Bonds5

About 2-hydroxy-3-[(3-methoxythiophene-2-carbonyl)amino]propanoic acid

2-hydroxy-3-[(3-methoxythiophene-2-carbonyl)amino]propanoic acid (PubChem CID 81127121) has the molecular formula C9H11NO5S and a molecular weight of 245.26 g/mol. Its IUPAC name is 2-hydroxy-3-[(3-methoxythiophene-2-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-hydroxy-3-[(3-methoxythiophene-2-carbonyl)amino]propanoic acid
PubChem CID81127121
Molecular FormulaC9H11NO5S
Molecular Weight245.26 g/mol
Exact Mass245.04
IUPAC Name2-hydroxy-3-[(3-methoxythiophene-2-carbonyl)amino]propanoic acid
SMILESCOc1ccsc1C(=O)NCC(O)C(=O)O
InChIInChI=1S/C9H11NO5S/c1-15-6-2-3-16-7(6)8(12)10-4-5(11)9(13)14/h2-3,5,11H,4H2,1H3,(H,10,12)(H,13,14)
InChIKeyAMMCDUDCMAWNRD-UHFFFAOYSA-N
XLogP-0.07
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.26
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-hydroxy-3-[(3-methoxythiophene-2-carbonyl)amino]propanoate
CID 113344178
N-(2-chloro-3-ethylpentyl)-3-methoxythiophene-2-carboxamide
CID 114168687
2-hydroxy-3-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]propanoic acid
CID 66168126
(2S)-2-[(3-methoxythiophene-2-carbonyl)amino]-3-methylbutanoic acid
CID 81126687
methyl 3-[(3-aminothiophene-2-carbonyl)amino]-2-hydroxypropanoate
CID 107211618
2-hydroxy-3-[(2-methoxy-5-methylbenzoyl)amino]propanoic acid
CID 66166052
N-(3-chloro-2,2-dimethylpropyl)-3-methoxythiophene-2-carboxamide
CID 115364635
3-methoxy-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-carboxamide
CID 120811919
N-(2-hydroxy-2,5-dimethylhexyl)-3-methoxythiophene-2-carboxamide
CID 111485302
N-[(4-aminophenyl)methyl]-3-methoxythiophene-2-carboxamide
CID 81116990
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3-methoxythiophene-2-carboxamide
CID 112699709
3-[(3,5-dimethoxybenzoyl)amino]-2-hydroxypropanoic acid
CID 66167276

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[(3-methoxythiophene-2-carbonyl)amino]propanoic acid?
The IUPAC name of 2-hydroxy-3-[(3-methoxythiophene-2-carbonyl)amino]propanoic acid (CID 81127121) is 2-hydroxy-3-[(3-methoxythiophene-2-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-hydroxy-3-[(3-methoxythiophene-2-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-hydroxy-3-[(3-methoxythiophene-2-carbonyl)amino]propanoic acid is COc1ccsc1C(=O)NCC(O)C(=O)O.
What is the InChIKey of 2-hydroxy-3-[(3-methoxythiophene-2-carbonyl)amino]propanoic acid?
The InChIKey is AMMCDUDCMAWNRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO5S/c1-15-6-2-3-16-7(6)8(12)10-4-5(11)9(13)14/h2-3,5,11H,4H2,1H3,(H,10,12)(H,13,14).
What are the key properties of 2-hydroxy-3-[(3-methoxythiophene-2-carbonyl)amino]propanoic acid?
2-hydroxy-3-[(3-methoxythiophene-2-carbonyl)amino]propanoic acid has a molecular weight of 245.26 g/mol, XLogP of -0.07, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[(3-methoxythiophene-2-carbonyl)amino]propanoic acid is sourced from PubChem (CID 81127121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).