(2R)-2-[[2-(2H-indazol-3-yl)acetyl]amino]-3-methylbutanoic acid

C14H17N3O3 — CID 119369285

IUPAC(2R)-2-[[2-(2H-indazol-3-yl)acetyl]amino]-3-methylbutanoic acid
SMILESCC(C)[C@@H](NC(=O)Cc1[nH]nc2ccccc12)C(=O)O
InChIInChI=1S/C14H17N3O3/c1-8(2)13(14(19)20)15-12(18)7-11-9-5-3-4-6-10(9)16-17-11/h3-6,8,13H,7H2,1-2H3,(H,15,18)(H,16,17)(H,19,20)/t13-/m1/s1
InChIKeyDTQSECZIRWSLQL-CYBMUJFWSA-N
MW275.31 g/mol
LogP1.33
Rot. Bonds5

About (2R)-2-[[2-(2H-indazol-3-yl)acetyl]amino]-3-methylbutanoic acid

(2R)-2-[[2-(2H-indazol-3-yl)acetyl]amino]-3-methylbutanoic acid (PubChem CID 119369285) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is (2R)-2-[[2-(2H-indazol-3-yl)acetyl]amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-[[2-(2H-indazol-3-yl)acetyl]amino]-3-methylbutanoic acid
PubChem CID119369285
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name(2R)-2-[[2-(2H-indazol-3-yl)acetyl]amino]-3-methylbutanoic acid
SMILESCC(C)[C@@H](NC(=O)Cc1[nH]nc2ccccc12)C(=O)O
InChIInChI=1S/C14H17N3O3/c1-8(2)13(14(19)20)15-12(18)7-11-9-5-3-4-6-10(9)16-17-11/h3-6,8,13H,7H2,1-2H3,(H,15,18)(H,16,17)(H,19,20)/t13-/m1/s1
InChIKeyDTQSECZIRWSLQL-CYBMUJFWSA-N
XLogP1.33
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(2H-indazol-3-yl)acetyl]amino]butanoic acid
CID 119221464
(2R)-2-[[2-(2H-indazol-3-yl)acetyl]amino]-3-methylsulfanylpropanoic acid
CID 121494637
(2S)-2-[[2-[[2-(2H-indazol-3-yl)acetyl]amino]acetyl]amino]-4-methylpentanoic acid
CID 120695229
2-(2H-indazol-3-yl)-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]acetamide
CID 118772312
(2S)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanoic acid
CID 2084038
N-(2-amino-1-cyclopropylethyl)-2-(2H-indazol-3-yl)acetamide
CID 119615735
N-[(2R)-2-(ethylamino)propyl]-2-(2H-indazol-3-yl)acetamide;hydrochloride
CID 120652726
3-[[2-(2H-indazol-3-yl)acetyl]amino]-2-(4-methylphenyl)propanoic acid
CID 146090589
N-(2-aminoethyl)-2-(2H-indazol-3-yl)acetamide;hydrochloride
CID 119384110
N-(1-amino-2,4-dimethylpentan-2-yl)-2-(2H-indazol-3-yl)acetamide;hydrochloride
CID 119599173
N-(2-amino-1-cyclohexylethyl)-2-(2H-indazol-3-yl)acetamide
CID 119590893
(2S)-3-methyl-2-[[2-[(2-phenylacetyl)amino]acetyl]amino]butanoic acid
CID 40551618

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(2H-indazol-3-yl)acetyl]amino]-3-methylbutanoic acid?
The IUPAC name of (2R)-2-[[2-(2H-indazol-3-yl)acetyl]amino]-3-methylbutanoic acid (CID 119369285) is (2R)-2-[[2-(2H-indazol-3-yl)acetyl]amino]-3-methylbutanoic acid.
What is the SMILES notation for (2R)-2-[[2-(2H-indazol-3-yl)acetyl]amino]-3-methylbutanoic acid?
The canonical SMILES for (2R)-2-[[2-(2H-indazol-3-yl)acetyl]amino]-3-methylbutanoic acid is CC(C)[C@@H](NC(=O)Cc1[nH]nc2ccccc12)C(=O)O.
What is the InChIKey of (2R)-2-[[2-(2H-indazol-3-yl)acetyl]amino]-3-methylbutanoic acid?
The InChIKey is DTQSECZIRWSLQL-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-8(2)13(14(19)20)15-12(18)7-11-9-5-3-4-6-10(9)16-17-11/h3-6,8,13H,7H2,1-2H3,(H,15,18)(H,16,17)(H,19,20)/t13-/m1/s1.
What are the key properties of (2R)-2-[[2-(2H-indazol-3-yl)acetyl]amino]-3-methylbutanoic acid?
(2R)-2-[[2-(2H-indazol-3-yl)acetyl]amino]-3-methylbutanoic acid has a molecular weight of 275.31 g/mol, XLogP of 1.33, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-(2H-indazol-3-yl)acetyl]amino]-3-methylbutanoic acid is sourced from PubChem (CID 119369285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).