(2R)-4-amino-2-[(1-methylindazole-3-carbonyl)amino]-4-oxobutanoic acid

C13H14N4O4 — CID 107821571

IUPAC(2R)-4-amino-2-[(1-methylindazole-3-carbonyl)amino]-4-oxobutanoic acid
SMILESCn1nc(C(=O)N[C@H](CC(N)=O)C(=O)O)c2ccccc21
InChIInChI=1S/C13H14N4O4/c1-17-9-5-3-2-4-7(9)11(16-17)12(19)15-8(13(20)21)6-10(14)18/h2-5,8H,6H2,1H3,(H2,14,18)(H,15,19)(H,20,21)/t8-/m1/s1
InChIKeyKUFASQBUDOIESB-MRVPVSSYSA-N
MW290.28 g/mol
LogP-0.37
Rot. Bonds5

About (2R)-4-amino-2-[(1-methylindazole-3-carbonyl)amino]-4-oxobutanoic acid

(2R)-4-amino-2-[(1-methylindazole-3-carbonyl)amino]-4-oxobutanoic acid (PubChem CID 107821571) has the molecular formula C13H14N4O4 and a molecular weight of 290.28 g/mol. Its IUPAC name is (2R)-4-amino-2-[(1-methylindazole-3-carbonyl)amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name(2R)-4-amino-2-[(1-methylindazole-3-carbonyl)amino]-4-oxobutanoic acid
PubChem CID107821571
Molecular FormulaC13H14N4O4
Molecular Weight290.28 g/mol
Exact Mass290.10
IUPAC Name(2R)-4-amino-2-[(1-methylindazole-3-carbonyl)amino]-4-oxobutanoic acid
SMILESCn1nc(C(=O)N[C@H](CC(N)=O)C(=O)O)c2ccccc21
InChIInChI=1S/C13H14N4O4/c1-17-9-5-3-2-4-7(9)11(16-17)12(19)15-8(13(20)21)6-10(14)18/h2-5,8H,6H2,1H3,(H2,14,18)(H,15,19)(H,20,21)/t8-/m1/s1
InChIKeyKUFASQBUDOIESB-MRVPVSSYSA-N
XLogP-0.37
TPSA127.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[(1-methylindazole-3-carbonyl)amino]pentanoic acid
CID 107564755
3-[(1-methylindazole-3-carbonyl)amino]butanoic acid
CID 103116476
methyl 3-hydroxy-2-[(1-methylindazole-3-carbonyl)amino]propanoate
CID 103121157
3-hydroxy-2-[(1-methylindazole-3-carbonyl)amino]butanoic acid
CID 103116350
2-methyl-4-[(1-methylindazole-3-carbonyl)amino]butanoic acid
CID 103117045
N-(5-aminopentan-2-yl)-1-methylindazole-3-carboxamide
CID 103123150
3-methyl-2-[[(1-methylindazole-3-carbonyl)amino]methyl]butanoic acid
CID 103116907
(2S)-4-amino-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]-4-oxobutanoic acid
CID 61142499
N-(1-hydroxy-4-methylpentan-2-yl)-1-methylindazole-3-carboxamide
CID 103120120
N-(2-chloropropyl)-1-methylindazole-3-carboxamide
CID 103122559
N-(4-amino-1-methoxybutan-2-yl)-1-methylindazole-3-carboxamide
CID 106152679
(2R)-4-amino-2-[(1-methylpyrazole-3-carbonyl)amino]-4-oxobutanoic acid
CID 107821158

Frequently Asked Questions

What is the IUPAC name of (2R)-4-amino-2-[(1-methylindazole-3-carbonyl)amino]-4-oxobutanoic acid?
The IUPAC name of (2R)-4-amino-2-[(1-methylindazole-3-carbonyl)amino]-4-oxobutanoic acid (CID 107821571) is (2R)-4-amino-2-[(1-methylindazole-3-carbonyl)amino]-4-oxobutanoic acid.
What is the SMILES notation for (2R)-4-amino-2-[(1-methylindazole-3-carbonyl)amino]-4-oxobutanoic acid?
The canonical SMILES for (2R)-4-amino-2-[(1-methylindazole-3-carbonyl)amino]-4-oxobutanoic acid is Cn1nc(C(=O)N[C@H](CC(N)=O)C(=O)O)c2ccccc21.
What is the InChIKey of (2R)-4-amino-2-[(1-methylindazole-3-carbonyl)amino]-4-oxobutanoic acid?
The InChIKey is KUFASQBUDOIESB-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H14N4O4/c1-17-9-5-3-2-4-7(9)11(16-17)12(19)15-8(13(20)21)6-10(14)18/h2-5,8H,6H2,1H3,(H2,14,18)(H,15,19)(H,20,21)/t8-/m1/s1.
What are the key properties of (2R)-4-amino-2-[(1-methylindazole-3-carbonyl)amino]-4-oxobutanoic acid?
(2R)-4-amino-2-[(1-methylindazole-3-carbonyl)amino]-4-oxobutanoic acid has a molecular weight of 290.28 g/mol, XLogP of -0.37, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-amino-2-[(1-methylindazole-3-carbonyl)amino]-4-oxobutanoic acid is sourced from PubChem (CID 107821571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).