(2S)-2-amino-3-(7-methyl-1H-indazol-5-yl)propanoic acid

C11H13N3O2 — CID 155388857

IUPAC(2S)-2-amino-3-(7-methyl-1H-indazol-5-yl)propanoic acid
SMILESCc1cc(C[C@H](N)C(=O)O)cc2cn[nH]c12
InChIInChI=1S/C11H13N3O2/c1-6-2-7(4-9(12)11(15)16)3-8-5-13-14-10(6)8/h2-3,5,9H,4,12H2,1H3,(H,13,14)(H,15,16)/t9-/m0/s1
InChIKeyORSMLSCAEDMRGO-VIFPVBQESA-N
MW219.24 g/mol
LogP0.83
Rot. Bonds3

About (2S)-2-amino-3-(7-methyl-1H-indazol-5-yl)propanoic acid

(2S)-2-amino-3-(7-methyl-1H-indazol-5-yl)propanoic acid (PubChem CID 155388857) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is (2S)-2-amino-3-(7-methyl-1H-indazol-5-yl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-(7-methyl-1H-indazol-5-yl)propanoic acid
PubChem CID155388857
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name(2S)-2-amino-3-(7-methyl-1H-indazol-5-yl)propanoic acid
SMILESCc1cc(C[C@H](N)C(=O)O)cc2cn[nH]c12
InChIInChI=1S/C11H13N3O2/c1-6-2-7(4-9(12)11(15)16)3-8-5-13-14-10(6)8/h2-3,5,9H,4,12H2,1H3,(H,13,14)(H,15,16)/t9-/m0/s1
InChIKeyORSMLSCAEDMRGO-VIFPVBQESA-N
XLogP0.83
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2S)-2-amino-3-(7-methyl-1H-indazol-5-yl)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-O-benzyl 1-O-methyl (2R)-2-[(7-methyl-1H-indazol-5-yl)methyl]propanedioate
CID 66603910
methyl 2-amino-3-(7-chloro-1H-indazol-5-yl)propanoate
CID 58864314
methyl 2-amino-3-(7-ethyl-1H-indazol-5-yl)propanoate
CID 58864508
(2S)-2-amino-3-(1H-indazol-6-yl)propanoic acid
CID 96765286
(2R)-2-amino-3-(4-fluoro-3,5-dimethylphenyl)propanoic acid
CID 93478162
2-amino-3-(5-methyl-1H-pyrazol-4-yl)propanoic acid
CID 62961134
2-amino-3-(3,4-dihydroxy-5-methylphenyl)propanoic acid
CID 75089325
(2R)-2-amino-3-(3,4-dimethylphenyl)propanoic acid
CID 56845605
2-amino-3-(7-methyl-1H-indazol-5-yl)-1-[4-[4-(1-propylimidazol-2-yl)piperidin-1-yl]piperidin-1-yl]propan-1-one
CID 129095366
[1-[1-(2,2-dimethylpropyl)tetrazol-5-yl]-2-(7-methyl-1H-indazol-5-yl)ethyl]carbamic acid
CID 69070221
2-amino-3-(5-methyl-3-pyridinyl)propanoic acid
CID 55282394
2-amino-3-(4-ethoxy-3-hydroxy-5-methylphenyl)propanoic acid
CID 68585692

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(7-methyl-1H-indazol-5-yl)propanoic acid?
The IUPAC name of (2S)-2-amino-3-(7-methyl-1H-indazol-5-yl)propanoic acid (CID 155388857) is (2S)-2-amino-3-(7-methyl-1H-indazol-5-yl)propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-(7-methyl-1H-indazol-5-yl)propanoic acid?
The canonical SMILES for (2S)-2-amino-3-(7-methyl-1H-indazol-5-yl)propanoic acid is Cc1cc(C[C@H](N)C(=O)O)cc2cn[nH]c12.
What is the InChIKey of (2S)-2-amino-3-(7-methyl-1H-indazol-5-yl)propanoic acid?
The InChIKey is ORSMLSCAEDMRGO-VIFPVBQESA-N. The full InChI is InChI=1S/C11H13N3O2/c1-6-2-7(4-9(12)11(15)16)3-8-5-13-14-10(6)8/h2-3,5,9H,4,12H2,1H3,(H,13,14)(H,15,16)/t9-/m0/s1.
What are the key properties of (2S)-2-amino-3-(7-methyl-1H-indazol-5-yl)propanoic acid?
(2S)-2-amino-3-(7-methyl-1H-indazol-5-yl)propanoic acid has a molecular weight of 219.24 g/mol, XLogP of 0.83, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(7-methyl-1H-indazol-5-yl)propanoic acid is sourced from PubChem (CID 155388857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).