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

C13H15N3O3S — CID 121494637

IUPAC(2R)-2-[[2-(2H-indazol-3-yl)acetyl]amino]-3-methylsulfanylpropanoic acid
SMILESCSC[C@H](NC(=O)Cc1[nH]nc2ccccc12)C(=O)O
InChIInChI=1S/C13H15N3O3S/c1-20-7-11(13(18)19)14-12(17)6-10-8-4-2-3-5-9(8)15-16-10/h2-5,11H,6-7H2,1H3,(H,14,17)(H,15,16)(H,18,19)/t11-/m0/s1
InChIKeyBTRVEKNTGYOVMO-NSHDSACASA-N
MW293.35 g/mol
LogP1.04
Rot. Bonds6

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

(2R)-2-[[2-(2H-indazol-3-yl)acetyl]amino]-3-methylsulfanylpropanoic acid (PubChem CID 121494637) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is (2R)-2-[[2-(2H-indazol-3-yl)acetyl]amino]-3-methylsulfanylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-[[2-(2H-indazol-3-yl)acetyl]amino]-3-methylsulfanylpropanoic acid
PubChem CID121494637
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC Name(2R)-2-[[2-(2H-indazol-3-yl)acetyl]amino]-3-methylsulfanylpropanoic acid
SMILESCSC[C@H](NC(=O)Cc1[nH]nc2ccccc12)C(=O)O
InChIInChI=1S/C13H15N3O3S/c1-20-7-11(13(18)19)14-12(17)6-10-8-4-2-3-5-9(8)15-16-10/h2-5,11H,6-7H2,1H3,(H,14,17)(H,15,16)(H,18,19)/t11-/m0/s1
InChIKeyBTRVEKNTGYOVMO-NSHDSACASA-N
XLogP1.04
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[[2-(2H-indazol-3-yl)acetyl]amino]-3-methylsulfanylpropanoic acid with MolForge

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Related Compounds

(2S)-2-[[2-[[2-(2H-indazol-3-yl)acetyl]amino]acetyl]amino]-4-methylpentanoic acid
CID 120695229
N-(2-aminoethyl)-2-(2H-indazol-3-yl)acetamide;hydrochloride
CID 119384110
N-(2-amino-1-cyclopropylethyl)-2-(2H-indazol-3-yl)acetamide
CID 119615735
2-(2H-indazol-3-yl)-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]acetamide
CID 118772312
3-[[2-(2H-indazol-3-yl)acetyl]amino]-2-(4-methylphenyl)propanoic acid
CID 146090589
N-(2-amino-1-cyclohexylethyl)-2-(2H-indazol-3-yl)acetamide
CID 119590893
2-[3-[[2-(2H-indazol-3-yl)acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 154740868
N-[(2R)-2-(ethylamino)propyl]-2-(2H-indazol-3-yl)acetamide;hydrochloride
CID 120652726
N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]-2-(2H-indazol-3-yl)acetamide
CID 95189916
(2R)-2-amino-3-(2H-indazol-3-yl)propanoic acid
CID 90478787
4-fluoro-3-[[2-(2H-indazol-3-yl)acetyl]amino]benzoic acid
CID 75497770
1-[[2-(2H-indazol-3-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 119168100

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(2H-indazol-3-yl)acetyl]amino]-3-methylsulfanylpropanoic acid?
The IUPAC name of (2R)-2-[[2-(2H-indazol-3-yl)acetyl]amino]-3-methylsulfanylpropanoic acid (CID 121494637) is (2R)-2-[[2-(2H-indazol-3-yl)acetyl]amino]-3-methylsulfanylpropanoic acid.
What is the SMILES notation for (2R)-2-[[2-(2H-indazol-3-yl)acetyl]amino]-3-methylsulfanylpropanoic acid?
The canonical SMILES for (2R)-2-[[2-(2H-indazol-3-yl)acetyl]amino]-3-methylsulfanylpropanoic acid is CSC[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-methylsulfanylpropanoic acid?
The InChIKey is BTRVEKNTGYOVMO-NSHDSACASA-N. The full InChI is InChI=1S/C13H15N3O3S/c1-20-7-11(13(18)19)14-12(17)6-10-8-4-2-3-5-9(8)15-16-10/h2-5,11H,6-7H2,1H3,(H,14,17)(H,15,16)(H,18,19)/t11-/m0/s1.
What are the key properties of (2R)-2-[[2-(2H-indazol-3-yl)acetyl]amino]-3-methylsulfanylpropanoic acid?
(2R)-2-[[2-(2H-indazol-3-yl)acetyl]amino]-3-methylsulfanylpropanoic acid has a molecular weight of 293.35 g/mol, XLogP of 1.04, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-(2H-indazol-3-yl)acetyl]amino]-3-methylsulfanylpropanoic acid is sourced from PubChem (CID 121494637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).