(2R)-3-methyl-2-[(5-methyl-1H-indazole-7-carbonyl)amino]butanoic acid

C14H17N3O3 — CID 119369476

IUPAC(2R)-3-methyl-2-[(5-methyl-1H-indazole-7-carbonyl)amino]butanoic acid
SMILESCc1cc(C(=O)N[C@@H](C(=O)O)C(C)C)c2[nH]ncc2c1
InChIInChI=1S/C14H17N3O3/c1-7(2)11(14(19)20)16-13(18)10-5-8(3)4-9-6-15-17-12(9)10/h4-7,11H,1-3H3,(H,15,17)(H,16,18)(H,19,20)/t11-/m1/s1
InChIKeyGBPZESFCJMOBPL-LLVKDONJSA-N
MW275.31 g/mol
LogP1.71
Rot. Bonds4

About (2R)-3-methyl-2-[(5-methyl-1H-indazole-7-carbonyl)amino]butanoic acid

(2R)-3-methyl-2-[(5-methyl-1H-indazole-7-carbonyl)amino]butanoic acid (PubChem CID 119369476) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is (2R)-3-methyl-2-[(5-methyl-1H-indazole-7-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name(2R)-3-methyl-2-[(5-methyl-1H-indazole-7-carbonyl)amino]butanoic acid
PubChem CID119369476
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name(2R)-3-methyl-2-[(5-methyl-1H-indazole-7-carbonyl)amino]butanoic acid
SMILESCc1cc(C(=O)N[C@@H](C(=O)O)C(C)C)c2[nH]ncc2c1
InChIInChI=1S/C14H17N3O3/c1-7(2)11(14(19)20)16-13(18)10-5-8(3)4-9-6-15-17-12(9)10/h4-7,11H,1-3H3,(H,15,17)(H,16,18)(H,19,20)/t11-/m1/s1
InChIKeyGBPZESFCJMOBPL-LLVKDONJSA-N
XLogP1.71
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(1H-indazole-5-carbonylamino)-3-methylbutanoic acid
CID 79011193
7-[(5-methyl-1H-indazole-7-carbonyl)amino]heptanoic acid
CID 119227464
cis-(1R,3S)-3-[(5-methyl-1H-indazole-7-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120678335
N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methyl-1H-indazole-7-carboxamide
CID 120945040
N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methyl-1H-indazole-7-carboxamide;hydrochloride
CID 120945039
(2R)-2-[(2-methoxy-5-methylbenzoyl)amino]-3-methylbutanoic acid
CID 79010669
2-[(2-iodo-5-methylbenzoyl)amino]-3-methylbutanoic acid
CID 119348357
N-[5-[(2-amino-2-oxoethyl)carbamoyl]-1H-pyrazol-4-yl]-5-methyl-1H-indazole-7-carboxamide
CID 167971765
(2R)-3-methyl-2-[(5-methyl-1H-pyrazole-3-carbonyl)amino]butanoic acid
CID 79011182
3-methyl-2-[(4-methyl-1H-pyrrole-3-carbonyl)amino]butanoic acid
CID 119170260
ethyl 3-[(5-chloro-1H-indazole-7-carbonyl)amino]butanoate
CID 146187845
(2R)-2-[(2-chloro-4-methylbenzoyl)amino]-3-methylbutanoic acid
CID 106860616

Frequently Asked Questions

What is the IUPAC name of (2R)-3-methyl-2-[(5-methyl-1H-indazole-7-carbonyl)amino]butanoic acid?
The IUPAC name of (2R)-3-methyl-2-[(5-methyl-1H-indazole-7-carbonyl)amino]butanoic acid (CID 119369476) is (2R)-3-methyl-2-[(5-methyl-1H-indazole-7-carbonyl)amino]butanoic acid.
What is the SMILES notation for (2R)-3-methyl-2-[(5-methyl-1H-indazole-7-carbonyl)amino]butanoic acid?
The canonical SMILES for (2R)-3-methyl-2-[(5-methyl-1H-indazole-7-carbonyl)amino]butanoic acid is Cc1cc(C(=O)N[C@@H](C(=O)O)C(C)C)c2[nH]ncc2c1.
What is the InChIKey of (2R)-3-methyl-2-[(5-methyl-1H-indazole-7-carbonyl)amino]butanoic acid?
The InChIKey is GBPZESFCJMOBPL-LLVKDONJSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-7(2)11(14(19)20)16-13(18)10-5-8(3)4-9-6-15-17-12(9)10/h4-7,11H,1-3H3,(H,15,17)(H,16,18)(H,19,20)/t11-/m1/s1.
What are the key properties of (2R)-3-methyl-2-[(5-methyl-1H-indazole-7-carbonyl)amino]butanoic acid?
(2R)-3-methyl-2-[(5-methyl-1H-indazole-7-carbonyl)amino]butanoic acid has a molecular weight of 275.31 g/mol, XLogP of 1.71, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-methyl-2-[(5-methyl-1H-indazole-7-carbonyl)amino]butanoic acid is sourced from PubChem (CID 119369476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).