methyl 3-hydroxy-2-[(1-methylindazole-3-carbonyl)amino]propanoate

C13H15N3O4 — CID 103121157

IUPACmethyl 3-hydroxy-2-[(1-methylindazole-3-carbonyl)amino]propanoate
SMILESCOC(=O)C(CO)NC(=O)c1nn(C)c2ccccc12
InChIInChI=1S/C13H15N3O4/c1-16-10-6-4-3-5-8(10)11(15-16)12(18)14-9(7-17)13(19)20-2/h3-6,9,17H,7H2,1-2H3,(H,14,18)
InChIKeyZXZPETUTXQHYFZ-UHFFFAOYSA-N
MW277.28 g/mol
LogP-0.16
Rot. Bonds4

About methyl 3-hydroxy-2-[(1-methylindazole-3-carbonyl)amino]propanoate

methyl 3-hydroxy-2-[(1-methylindazole-3-carbonyl)amino]propanoate (PubChem CID 103121157) has the molecular formula C13H15N3O4 and a molecular weight of 277.28 g/mol. Its IUPAC name is methyl 3-hydroxy-2-[(1-methylindazole-3-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-hydroxy-2-[(1-methylindazole-3-carbonyl)amino]propanoate
PubChem CID103121157
Molecular FormulaC13H15N3O4
Molecular Weight277.28 g/mol
Exact Mass277.11
IUPAC Namemethyl 3-hydroxy-2-[(1-methylindazole-3-carbonyl)amino]propanoate
SMILESCOC(=O)C(CO)NC(=O)c1nn(C)c2ccccc12
InChIInChI=1S/C13H15N3O4/c1-16-10-6-4-3-5-8(10)11(15-16)12(18)14-9(7-17)13(19)20-2/h3-6,9,17H,7H2,1-2H3,(H,14,18)
InChIKeyZXZPETUTXQHYFZ-UHFFFAOYSA-N
XLogP-0.16
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl (2S)-3-hydroxy-2-[(3-methyl-4-oxophthalazine-1-carbonyl)amino]propanoate
CID 9277699
(2R)-4-amino-2-[(1-methylindazole-3-carbonyl)amino]-4-oxobutanoic acid
CID 107821571
N-(1-hydroxy-4-methylpentan-2-yl)-1-methylindazole-3-carboxamide
CID 103120120
(2S)-2-[(1-methylindazole-3-carbonyl)amino]pentanoic acid
CID 107564755
N-(4-amino-1-methoxybutan-2-yl)-1-methylindazole-3-carboxamide
CID 106152679
3-[(1-methylindazole-3-carbonyl)amino]butanoic acid
CID 103116476
N-(5-aminopentan-2-yl)-1-methylindazole-3-carboxamide
CID 103123150
N-(3-methoxypropyl)-1-methylindazole-3-carboxamide
CID 166081516
methyl 3-[(1-methylindazole-3-carbonyl)amino]propanoate
CID 103121172
N-(2-hydroxy-3-methoxypropyl)-1-methylindazole-3-carboxamide
CID 103120182
N-(2-chloropropyl)-1-methylindazole-3-carboxamide
CID 103122559
3-hydroxy-2-[(1-methylindazole-3-carbonyl)amino]butanoic acid
CID 103116350

Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxy-2-[(1-methylindazole-3-carbonyl)amino]propanoate?
The IUPAC name of methyl 3-hydroxy-2-[(1-methylindazole-3-carbonyl)amino]propanoate (CID 103121157) is methyl 3-hydroxy-2-[(1-methylindazole-3-carbonyl)amino]propanoate.
What is the SMILES notation for methyl 3-hydroxy-2-[(1-methylindazole-3-carbonyl)amino]propanoate?
The canonical SMILES for methyl 3-hydroxy-2-[(1-methylindazole-3-carbonyl)amino]propanoate is COC(=O)C(CO)NC(=O)c1nn(C)c2ccccc12.
What is the InChIKey of methyl 3-hydroxy-2-[(1-methylindazole-3-carbonyl)amino]propanoate?
The InChIKey is ZXZPETUTXQHYFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4/c1-16-10-6-4-3-5-8(10)11(15-16)12(18)14-9(7-17)13(19)20-2/h3-6,9,17H,7H2,1-2H3,(H,14,18).
What are the key properties of methyl 3-hydroxy-2-[(1-methylindazole-3-carbonyl)amino]propanoate?
methyl 3-hydroxy-2-[(1-methylindazole-3-carbonyl)amino]propanoate has a molecular weight of 277.28 g/mol, XLogP of -0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxy-2-[(1-methylindazole-3-carbonyl)amino]propanoate is sourced from PubChem (CID 103121157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).