4-[[1-(azetidin-3-yl)triazole-4-carbonyl]amino]-2-hydroxybutanoic acid

C10H15N5O4 — CID 107836254

IUPAC4-[[1-(azetidin-3-yl)triazole-4-carbonyl]amino]-2-hydroxybutanoic acid
SMILESO=C(NCCC(O)C(=O)O)c1cn(C2CNC2)nn1
InChIInChI=1S/C10H15N5O4/c16-8(10(18)19)1-2-12-9(17)7-5-15(14-13-7)6-3-11-4-6/h5-6,8,11,16H,1-4H2,(H,12,17)(H,18,19)
InChIKeyQPORWCNJDPJFIH-UHFFFAOYSA-N
MW269.26 g/mol
LogP-2.01
Rot. Bonds6

About 4-[[1-(azetidin-3-yl)triazole-4-carbonyl]amino]-2-hydroxybutanoic acid

4-[[1-(azetidin-3-yl)triazole-4-carbonyl]amino]-2-hydroxybutanoic acid (PubChem CID 107836254) has the molecular formula C10H15N5O4 and a molecular weight of 269.26 g/mol. Its IUPAC name is 4-[[1-(azetidin-3-yl)triazole-4-carbonyl]amino]-2-hydroxybutanoic acid.

Molecular Properties

Compound Name4-[[1-(azetidin-3-yl)triazole-4-carbonyl]amino]-2-hydroxybutanoic acid
PubChem CID107836254
Molecular FormulaC10H15N5O4
Molecular Weight269.26 g/mol
Exact Mass269.11
IUPAC Name4-[[1-(azetidin-3-yl)triazole-4-carbonyl]amino]-2-hydroxybutanoic acid
SMILESO=C(NCCC(O)C(=O)O)c1cn(C2CNC2)nn1
InChIInChI=1S/C10H15N5O4/c16-8(10(18)19)1-2-12-9(17)7-5-15(14-13-7)6-3-11-4-6/h5-6,8,11,16H,1-4H2,(H,12,17)(H,18,19)
InChIKeyQPORWCNJDPJFIH-UHFFFAOYSA-N
XLogP-2.01
TPSA129.37 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 5-2.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

1-(azetidin-3-yl)-N-(7-methyloctyl)triazole-4-carboxamide
CID 79318894
1-(azetidin-3-yl)-N-(3-methoxypropyl)triazole-4-carboxamide
CID 79316040
1-(azetidin-3-yl)-N-(2,2-dicyclopropylethyl)triazole-4-carboxamide
CID 79316339
1-(azetidin-3-yl)-N-(2-phenoxyethyl)triazole-4-carboxamide
CID 79319023
N-(3-hydroxybutyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 75373004
methyl 2-[[1-(azetidin-3-yl)triazole-4-carbonyl]amino]acetate
CID 79317214
1-(azetidin-3-yl)-N-[3-(butan-2-ylamino)-3-oxopropyl]triazole-4-carboxamide
CID 79319330
1-(azetidin-3-yl)-N-pentan-3-yltriazole-4-carboxamide
CID 79316819
1-(azetidin-3-yl)-N-(6-methylheptan-2-yl)triazole-4-carboxamide
CID 79316211
1-(azetidin-3-yl)-N-(2-thiophen-3-ylethyl)triazole-4-carboxamide
CID 79316779
1-(azetidin-3-yl)-N-[4-(dimethylamino)butan-2-yl]triazole-4-carboxamide
CID 79316138
1-(azetidin-3-yl)-N-[1-oxo-1-(propylamino)propan-2-yl]triazole-4-carboxamide
CID 79316363

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(azetidin-3-yl)triazole-4-carbonyl]amino]-2-hydroxybutanoic acid?
The IUPAC name of 4-[[1-(azetidin-3-yl)triazole-4-carbonyl]amino]-2-hydroxybutanoic acid (CID 107836254) is 4-[[1-(azetidin-3-yl)triazole-4-carbonyl]amino]-2-hydroxybutanoic acid.
What is the SMILES notation for 4-[[1-(azetidin-3-yl)triazole-4-carbonyl]amino]-2-hydroxybutanoic acid?
The canonical SMILES for 4-[[1-(azetidin-3-yl)triazole-4-carbonyl]amino]-2-hydroxybutanoic acid is O=C(NCCC(O)C(=O)O)c1cn(C2CNC2)nn1.
What is the InChIKey of 4-[[1-(azetidin-3-yl)triazole-4-carbonyl]amino]-2-hydroxybutanoic acid?
The InChIKey is QPORWCNJDPJFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O4/c16-8(10(18)19)1-2-12-9(17)7-5-15(14-13-7)6-3-11-4-6/h5-6,8,11,16H,1-4H2,(H,12,17)(H,18,19).
What are the key properties of 4-[[1-(azetidin-3-yl)triazole-4-carbonyl]amino]-2-hydroxybutanoic acid?
4-[[1-(azetidin-3-yl)triazole-4-carbonyl]amino]-2-hydroxybutanoic acid has a molecular weight of 269.26 g/mol, XLogP of -2.01, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(azetidin-3-yl)triazole-4-carbonyl]amino]-2-hydroxybutanoic acid is sourced from PubChem (CID 107836254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).