(2R)-2-amino-3-(7-methyl-1H-indazol-5-yl)propanoic acid;dihydrochloride

C11H15Cl2N3O2 — CID 155388479

IUPAC(2R)-2-amino-3-(7-methyl-1H-indazol-5-yl)propanoic acid;dihydrochloride
SMILESCc1cc(C[C@@H](N)C(=O)O)cc2cn[nH]c12.Cl.Cl
InChIInChI=1S/C11H13N3O2.2ClH/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);2*1H/t9-;;/m1../s1
InChIKeyXMOLCIKQAFPBAH-KLQYNRQASA-N
MW292.17 g/mol
LogP1.67
Rot. Bonds3

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

(2R)-2-amino-3-(7-methyl-1H-indazol-5-yl)propanoic acid;dihydrochloride (PubChem CID 155388479) has the molecular formula C11H15Cl2N3O2 and a molecular weight of 292.17 g/mol. Its IUPAC name is (2R)-2-amino-3-(7-methyl-1H-indazol-5-yl)propanoic acid;dihydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-3-(7-methyl-1H-indazol-5-yl)propanoic acid;dihydrochloride
PubChem CID155388479
Molecular FormulaC11H15Cl2N3O2
Molecular Weight292.17 g/mol
Exact Mass291.05
IUPAC Name(2R)-2-amino-3-(7-methyl-1H-indazol-5-yl)propanoic acid;dihydrochloride
SMILESCc1cc(C[C@@H](N)C(=O)O)cc2cn[nH]c12.Cl.Cl
InChIInChI=1S/C11H13N3O2.2ClH/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);2*1H/t9-;;/m1../s1
InChIKeyXMOLCIKQAFPBAH-KLQYNRQASA-N
XLogP1.67
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.17
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Tryptazan, (S)-
CID 3246003
Tryptazan
CID 95318
2-(1H-indazol-5-yl)acetic acid
CID 39103838
2-amino-3-(1H-indazol-3-yl)propanoic acid hydrochloride
CID 11851179
7-Methyl-1H-indazole-5-carboxylic acid
CID 53408503
2-(1H-indazol-7-yl)acetic acid
CID 82598988
2-[4-[7-(trifluoromethyl)-1H-indazol-5-yl]phenyl]acetic acid
CID 177379490
Vazegepant Impurity 20
CID 129095274
rac-(1R,2R)-2-(1H-indazol-7-yl)cyclopropane-1-carboxylic acid hydrochloride
CID 155943295
rac-(1R,2R)-2-(1H-indazol-7-yl)cyclopropane-1-carboxylic acid
CID 155943296
5-(3-Indazolyl)pentanoic acid
CID 20031061
2-amino-3-(7-methyl-1H-indazol-5-yl)propanoic acid
CID 21102245

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-(7-methyl-1H-indazol-5-yl)propanoic acid;dihydrochloride?
The IUPAC name of (2R)-2-amino-3-(7-methyl-1H-indazol-5-yl)propanoic acid;dihydrochloride (CID 155388479) is (2R)-2-amino-3-(7-methyl-1H-indazol-5-yl)propanoic acid;dihydrochloride.
What is the SMILES notation for (2R)-2-amino-3-(7-methyl-1H-indazol-5-yl)propanoic acid;dihydrochloride?
The canonical SMILES for (2R)-2-amino-3-(7-methyl-1H-indazol-5-yl)propanoic acid;dihydrochloride is Cc1cc(C[C@@H](N)C(=O)O)cc2cn[nH]c12.Cl.Cl.
What is the InChIKey of (2R)-2-amino-3-(7-methyl-1H-indazol-5-yl)propanoic acid;dihydrochloride?
The InChIKey is XMOLCIKQAFPBAH-KLQYNRQASA-N. The full InChI is InChI=1S/C11H13N3O2.2ClH/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);2*1H/t9-;;/m1../s1.
What are the key properties of (2R)-2-amino-3-(7-methyl-1H-indazol-5-yl)propanoic acid;dihydrochloride?
(2R)-2-amino-3-(7-methyl-1H-indazol-5-yl)propanoic acid;dihydrochloride has a molecular weight of 292.17 g/mol, XLogP of 1.67, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-(7-methyl-1H-indazol-5-yl)propanoic acid;dihydrochloride is sourced from PubChem (CID 155388479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).