2-hydroxy-3-[[2-(thiophene-2-carbonylamino)acetyl]amino]propanoic acid

C10H12N2O5S — CID 66165843

IUPAC2-hydroxy-3-[[2-(thiophene-2-carbonylamino)acetyl]amino]propanoic acid
SMILESO=C(CNC(=O)c1cccs1)NCC(O)C(=O)O
InChIInChI=1S/C10H12N2O5S/c13-6(10(16)17)4-11-8(14)5-12-9(15)7-2-1-3-18-7/h1-3,6,13H,4-5H2,(H,11,14)(H,12,15)(H,16,17)
InChIKeyQZGRFVMOLUYDQE-UHFFFAOYSA-N
MW272.28 g/mol
LogP-0.96
Rot. Bonds6

About 2-hydroxy-3-[[2-(thiophene-2-carbonylamino)acetyl]amino]propanoic acid

2-hydroxy-3-[[2-(thiophene-2-carbonylamino)acetyl]amino]propanoic acid (PubChem CID 66165843) has the molecular formula C10H12N2O5S and a molecular weight of 272.28 g/mol. Its IUPAC name is 2-hydroxy-3-[[2-(thiophene-2-carbonylamino)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name2-hydroxy-3-[[2-(thiophene-2-carbonylamino)acetyl]amino]propanoic acid
PubChem CID66165843
Molecular FormulaC10H12N2O5S
Molecular Weight272.28 g/mol
Exact Mass272.05
IUPAC Name2-hydroxy-3-[[2-(thiophene-2-carbonylamino)acetyl]amino]propanoic acid
SMILESO=C(CNC(=O)c1cccs1)NCC(O)C(=O)O
InChIInChI=1S/C10H12N2O5S/c13-6(10(16)17)4-11-8(14)5-12-9(15)7-2-1-3-18-7/h1-3,6,13H,4-5H2,(H,11,14)(H,12,15)(H,16,17)
InChIKeyQZGRFVMOLUYDQE-UHFFFAOYSA-N
XLogP-0.96
TPSA115.73 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 5-0.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-hydroxy-4-[[2-(thiophene-2-carbonylamino)acetyl]amino]butanoic acid
CID 107834928
2-hydroxy-3-[[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]propanoic acid
CID 66167883
N-[2-[(3-hydroxy-3-phenylpropyl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 111471983
(2S)-4-methyl-2-[[2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetyl]amino]pentanoic acid
CID 119361200
(2R)-2-[[2-(thiophene-2-carbonylamino)acetyl]amino]pentanoic acid
CID 107563695
4-methyl-2-[[2-(thiophene-2-carbonylamino)acetyl]amino]pentanoic acid
CID 5197370
N-[2-oxo-2-[[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]amino]ethyl]thiophene-2-carboxamide
CID 9163386
3-methyl-2-[[2-(thiophene-2-carbonylamino)acetyl]amino]pentanoic acid
CID 43092634
N-[2-oxo-2-[2-(2-phenylacetyl)hydrazinyl]ethyl]thiophene-2-carboxamide
CID 27227873
N-[2-oxo-2-[[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]amino]ethyl]thiophene-2-carboxamide
CID 9037224
N-[2-oxo-2-(2-phenylsulfanylethylamino)ethyl]thiophene-2-carboxamide
CID 26444525
2-phenyl-3-(thiophene-2-carbonylamino)propanoic acid
CID 62883489

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[[2-(thiophene-2-carbonylamino)acetyl]amino]propanoic acid?
The IUPAC name of 2-hydroxy-3-[[2-(thiophene-2-carbonylamino)acetyl]amino]propanoic acid (CID 66165843) is 2-hydroxy-3-[[2-(thiophene-2-carbonylamino)acetyl]amino]propanoic acid.
What is the SMILES notation for 2-hydroxy-3-[[2-(thiophene-2-carbonylamino)acetyl]amino]propanoic acid?
The canonical SMILES for 2-hydroxy-3-[[2-(thiophene-2-carbonylamino)acetyl]amino]propanoic acid is O=C(CNC(=O)c1cccs1)NCC(O)C(=O)O.
What is the InChIKey of 2-hydroxy-3-[[2-(thiophene-2-carbonylamino)acetyl]amino]propanoic acid?
The InChIKey is QZGRFVMOLUYDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O5S/c13-6(10(16)17)4-11-8(14)5-12-9(15)7-2-1-3-18-7/h1-3,6,13H,4-5H2,(H,11,14)(H,12,15)(H,16,17).
What are the key properties of 2-hydroxy-3-[[2-(thiophene-2-carbonylamino)acetyl]amino]propanoic acid?
2-hydroxy-3-[[2-(thiophene-2-carbonylamino)acetyl]amino]propanoic acid has a molecular weight of 272.28 g/mol, XLogP of -0.96, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[[2-(thiophene-2-carbonylamino)acetyl]amino]propanoic acid is sourced from PubChem (CID 66165843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).