3-hydroxy-2-[(1-methylindazole-3-carbonyl)amino]butanoic acid

C13H15N3O4 — CID 103116350

IUPAC3-hydroxy-2-[(1-methylindazole-3-carbonyl)amino]butanoic acid
SMILESCC(O)C(NC(=O)c1nn(C)c2ccccc12)C(=O)O
InChIInChI=1S/C13H15N3O4/c1-7(17)10(13(19)20)14-12(18)11-8-5-3-4-6-9(8)16(2)15-11/h3-7,10,17H,1-2H3,(H,14,18)(H,19,20)
InChIKeyVCCKHCQZSVFLRO-UHFFFAOYSA-N
MW277.28 g/mol
LogP0.14
Rot. Bonds4

About 3-hydroxy-2-[(1-methylindazole-3-carbonyl)amino]butanoic acid

3-hydroxy-2-[(1-methylindazole-3-carbonyl)amino]butanoic acid (PubChem CID 103116350) has the molecular formula C13H15N3O4 and a molecular weight of 277.28 g/mol. Its IUPAC name is 3-hydroxy-2-[(1-methylindazole-3-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-[(1-methylindazole-3-carbonyl)amino]butanoic acid
PubChem CID103116350
Molecular FormulaC13H15N3O4
Molecular Weight277.28 g/mol
Exact Mass277.11
IUPAC Name3-hydroxy-2-[(1-methylindazole-3-carbonyl)amino]butanoic acid
SMILESCC(O)C(NC(=O)c1nn(C)c2ccccc12)C(=O)O
InChIInChI=1S/C13H15N3O4/c1-7(17)10(13(19)20)14-12(18)11-8-5-3-4-6-9(8)16(2)15-11/h3-7,10,17H,1-2H3,(H,14,18)(H,19,20)
InChIKeyVCCKHCQZSVFLRO-UHFFFAOYSA-N
XLogP0.14
TPSA104.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(1-methylindazole-3-carbonyl)amino]butanoic acid
CID 103116476
(2S)-2-[(1-methylindazole-3-carbonyl)amino]pentanoic acid
CID 107564755
(2R)-4-amino-2-[(1-methylindazole-3-carbonyl)amino]-4-oxobutanoic acid
CID 107821571
2-methyl-4-[(1-methylindazole-3-carbonyl)amino]butanoic acid
CID 103117045
3-methyl-2-[[(1-methylindazole-3-carbonyl)amino]methyl]butanoic acid
CID 103116907
N-(5-aminopentan-2-yl)-1-methylindazole-3-carboxamide
CID 103123150
N-(1-hydroxy-4-methylpentan-2-yl)-1-methylindazole-3-carboxamide
CID 103120120
N-(2-chloropropyl)-1-methylindazole-3-carboxamide
CID 103122559
methyl 3-hydroxy-2-[(1-methylindazole-3-carbonyl)amino]propanoate
CID 103121157
N-[2-(2-hydroxypropylamino)ethyl]-1-methylindazole-3-carboxamide
CID 103121080
1-(1-methylindazol-3-yl)-3-phenylpropane-1,3-dione
CID 103119110
N-(2-chloroethyl)-1-methylindazole-3-carboxamide
CID 103119713

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[(1-methylindazole-3-carbonyl)amino]butanoic acid?
The IUPAC name of 3-hydroxy-2-[(1-methylindazole-3-carbonyl)amino]butanoic acid (CID 103116350) is 3-hydroxy-2-[(1-methylindazole-3-carbonyl)amino]butanoic acid.
What is the SMILES notation for 3-hydroxy-2-[(1-methylindazole-3-carbonyl)amino]butanoic acid?
The canonical SMILES for 3-hydroxy-2-[(1-methylindazole-3-carbonyl)amino]butanoic acid is CC(O)C(NC(=O)c1nn(C)c2ccccc12)C(=O)O.
What is the InChIKey of 3-hydroxy-2-[(1-methylindazole-3-carbonyl)amino]butanoic acid?
The InChIKey is VCCKHCQZSVFLRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4/c1-7(17)10(13(19)20)14-12(18)11-8-5-3-4-6-9(8)16(2)15-11/h3-7,10,17H,1-2H3,(H,14,18)(H,19,20).
What are the key properties of 3-hydroxy-2-[(1-methylindazole-3-carbonyl)amino]butanoic acid?
3-hydroxy-2-[(1-methylindazole-3-carbonyl)amino]butanoic acid has a molecular weight of 277.28 g/mol, XLogP of 0.14, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-[(1-methylindazole-3-carbonyl)amino]butanoic acid is sourced from PubChem (CID 103116350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).