3-hydroxy-2-[[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]propanoic acid

C9H9N5O4S — CID 43357785

IUPAC3-hydroxy-2-[[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]propanoic acid
SMILESO=C(NC(CO)C(=O)O)c1sccc1-n1cnnn1
InChIInChI=1S/C9H9N5O4S/c15-3-5(9(17)18)11-8(16)7-6(1-2-19-7)14-4-10-12-13-14/h1-2,4-5,15H,3H2,(H,11,16)(H,17,18)
InChIKeyFKTNUYCPYHYXKU-UHFFFAOYSA-N
MW283.27 g/mol
LogP-1.10
Rot. Bonds5

About 3-hydroxy-2-[[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]propanoic acid

3-hydroxy-2-[[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]propanoic acid (PubChem CID 43357785) has the molecular formula C9H9N5O4S and a molecular weight of 283.27 g/mol. Its IUPAC name is 3-hydroxy-2-[[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-[[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]propanoic acid
PubChem CID43357785
Molecular FormulaC9H9N5O4S
Molecular Weight283.27 g/mol
Exact Mass283.04
IUPAC Name3-hydroxy-2-[[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]propanoic acid
SMILESO=C(NC(CO)C(=O)O)c1sccc1-n1cnnn1
InChIInChI=1S/C9H9N5O4S/c15-3-5(9(17)18)11-8(16)7-6(1-2-19-7)14-4-10-12-13-14/h1-2,4-5,15H,3H2,(H,11,16)(H,17,18)
InChIKeyFKTNUYCPYHYXKU-UHFFFAOYSA-N
XLogP-1.10
TPSA130.23 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.27
LogP ≤ 5-1.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

(2S)-2-[[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]hexanoic acid
CID 107143972
3-methyl-2-[[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]pentanoic acid
CID 43356470
N-(2,3-dihydroxypropyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide
CID 66177071
N-(5-hydroxy-4-methylpentyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide
CID 103862134
3-(tetrazol-1-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-2-carboxamide
CID 103716375
N-(4-hydroxy-2-methylbutyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide
CID 66108564
N-[1-(hydroxymethyl)cyclohexyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide
CID 62520559
N-[1-(5-methylthiophen-2-yl)ethyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide
CID 51092429
N-(1-aminohexan-2-yl)-3-(tetrazol-1-yl)thiophene-2-carboxamide;hydrochloride
CID 119668151
methyl 2-[[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]acetate
CID 43623271
3-(tetrazol-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)thiophene-2-carboxamide
CID 103730655
N-phenylmethoxy-3-(tetrazol-1-yl)thiophene-2-carboxamide
CID 60788006

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]propanoic acid?
The IUPAC name of 3-hydroxy-2-[[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]propanoic acid (CID 43357785) is 3-hydroxy-2-[[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]propanoic acid.
What is the SMILES notation for 3-hydroxy-2-[[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]propanoic acid?
The canonical SMILES for 3-hydroxy-2-[[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]propanoic acid is O=C(NC(CO)C(=O)O)c1sccc1-n1cnnn1.
What is the InChIKey of 3-hydroxy-2-[[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]propanoic acid?
The InChIKey is FKTNUYCPYHYXKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O4S/c15-3-5(9(17)18)11-8(16)7-6(1-2-19-7)14-4-10-12-13-14/h1-2,4-5,15H,3H2,(H,11,16)(H,17,18).
What are the key properties of 3-hydroxy-2-[[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]propanoic acid?
3-hydroxy-2-[[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]propanoic acid has a molecular weight of 283.27 g/mol, XLogP of -1.10, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-[[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]propanoic acid is sourced from PubChem (CID 43357785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).