(2S)-2-[(1-methylindazole-3-carbonyl)amino]pentanoic acid

C14H17N3O3 — CID 107564755

IUPAC(2S)-2-[(1-methylindazole-3-carbonyl)amino]pentanoic acid
SMILESCCC[C@H](NC(=O)c1nn(C)c2ccccc12)C(=O)O
InChIInChI=1S/C14H17N3O3/c1-3-6-10(14(19)20)15-13(18)12-9-7-4-5-8-11(9)17(2)16-12/h4-5,7-8,10H,3,6H2,1-2H3,(H,15,18)(H,19,20)/t10-/m0/s1
InChIKeyMOQBOCHUUBOYKV-JTQLQIEISA-N
MW275.31 g/mol
LogP1.56
Rot. Bonds5

About (2S)-2-[(1-methylindazole-3-carbonyl)amino]pentanoic acid

(2S)-2-[(1-methylindazole-3-carbonyl)amino]pentanoic acid (PubChem CID 107564755) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is (2S)-2-[(1-methylindazole-3-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-2-[(1-methylindazole-3-carbonyl)amino]pentanoic acid
PubChem CID107564755
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name(2S)-2-[(1-methylindazole-3-carbonyl)amino]pentanoic acid
SMILESCCC[C@H](NC(=O)c1nn(C)c2ccccc12)C(=O)O
InChIInChI=1S/C14H17N3O3/c1-3-6-10(14(19)20)15-13(18)12-9-7-4-5-8-11(9)17(2)16-12/h4-5,7-8,10H,3,6H2,1-2H3,(H,15,18)(H,19,20)/t10-/m0/s1
InChIKeyMOQBOCHUUBOYKV-JTQLQIEISA-N
XLogP1.56
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-4-amino-2-[(1-methylindazole-3-carbonyl)amino]-4-oxobutanoic acid
CID 107821571
2-methyl-1-(1-methylindazol-3-yl)pentan-1-one
CID 107891232
2-methyl-4-[(1-methylindazole-3-carbonyl)amino]butanoic acid
CID 103117045
3-[(1-methylindazole-3-carbonyl)amino]butanoic acid
CID 103116476
methyl 3-hydroxy-2-[(1-methylindazole-3-carbonyl)amino]propanoate
CID 103121157
N-decan-3-yl-1-methylindazole-3-carboxamide
CID 67866590
3-hydroxy-2-[(1-methylindazole-3-carbonyl)amino]butanoic acid
CID 103116350
N-(5-aminopentan-2-yl)-1-methylindazole-3-carboxamide
CID 103123150
cis-(1R,2S)-2-[[(2S)-2-[(1-methylindazole-3-carbonyl)amino]hexanoyl]amino]cyclopentane-1-carboxylic acid
CID 59453915
3-methyl-2-[[(1-methylindazole-3-carbonyl)amino]methyl]butanoic acid
CID 103116907
(2S)-2-[(4-oxo-3H-phthalazine-1-carbonyl)amino]pentanoic acid
CID 107564057
N-(1-hydroxy-4-methylpentan-2-yl)-1-methylindazole-3-carboxamide
CID 103120120

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(1-methylindazole-3-carbonyl)amino]pentanoic acid?
The IUPAC name of (2S)-2-[(1-methylindazole-3-carbonyl)amino]pentanoic acid (CID 107564755) is (2S)-2-[(1-methylindazole-3-carbonyl)amino]pentanoic acid.
What is the SMILES notation for (2S)-2-[(1-methylindazole-3-carbonyl)amino]pentanoic acid?
The canonical SMILES for (2S)-2-[(1-methylindazole-3-carbonyl)amino]pentanoic acid is CCC[C@H](NC(=O)c1nn(C)c2ccccc12)C(=O)O.
What is the InChIKey of (2S)-2-[(1-methylindazole-3-carbonyl)amino]pentanoic acid?
The InChIKey is MOQBOCHUUBOYKV-JTQLQIEISA-N. The full InChI is InChI=1S/C14H17N3O3/c1-3-6-10(14(19)20)15-13(18)12-9-7-4-5-8-11(9)17(2)16-12/h4-5,7-8,10H,3,6H2,1-2H3,(H,15,18)(H,19,20)/t10-/m0/s1.
What are the key properties of (2S)-2-[(1-methylindazole-3-carbonyl)amino]pentanoic acid?
(2S)-2-[(1-methylindazole-3-carbonyl)amino]pentanoic acid has a molecular weight of 275.31 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(1-methylindazole-3-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 107564755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).