(2S)-2-amino-3-(1H-indazol-6-yl)propanoic acid

C10H11N3O2 — CID 96765286

IUPAC(2S)-2-amino-3-(1H-indazol-6-yl)propanoic acid
SMILESN[C@@H](Cc1ccc2cn[nH]c2c1)C(=O)O
InChIInChI=1S/C10H11N3O2/c11-8(10(14)15)3-6-1-2-7-5-12-13-9(7)4-6/h1-2,4-5,8H,3,11H2,(H,12,13)(H,14,15)/t8-/m0/s1
InChIKeyOYMNKWWOWKDCMR-QMMMGPOBSA-N
MW205.22 g/mol
LogP0.52
Rot. Bonds3

About (2S)-2-amino-3-(1H-indazol-6-yl)propanoic acid

(2S)-2-amino-3-(1H-indazol-6-yl)propanoic acid (PubChem CID 96765286) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is (2S)-2-amino-3-(1H-indazol-6-yl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-(1H-indazol-6-yl)propanoic acid
PubChem CID96765286
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name(2S)-2-amino-3-(1H-indazol-6-yl)propanoic acid
SMILESN[C@@H](Cc1ccc2cn[nH]c2c1)C(=O)O
InChIInChI=1S/C10H11N3O2/c11-8(10(14)15)3-6-1-2-7-5-12-13-9(7)4-6/h1-2,4-5,8H,3,11H2,(H,12,13)(H,14,15)/t8-/m0/s1
InChIKeyOYMNKWWOWKDCMR-QMMMGPOBSA-N
XLogP0.52
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-3-(7-methyl-1H-indazol-5-yl)propanoic acid
CID 155388857
(2S)-2-amino-3-(2-methyl-3H-benzimidazol-5-yl)propanoic acid
CID 96583220
N-(1H-indazol-6-ylmethyl)-2-phenylacetamide
CID 110472122
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(1H-indazol-6-yl)propanoic acid
CID 177277351
(2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoic acid;uranium
CID 157307595
2-(1H-indazol-6-ylmethylamino)propanamide;hydrochloride
CID 115606981
(2S)-2-amino-3-(4-fluorophenyl)propanoic acid
CID 716312
2-amino-3-(2-oxo-3H-1,3-benzoxazol-5-yl)propanoic acid;hydrochloride
CID 70618768
CID 175932180
CID 175932180
2-amino-3-(3,4-dihydroxyphenyl)propanoic acid;hydrochloride
CID 66974739
2-amino-3-(3,4-dihydroxyphenyl)propanoic acid;hydrate
CID 77239806
(2R)-2-amino-3-(3,4-dimethylphenyl)propanoic acid
CID 56845605

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(1H-indazol-6-yl)propanoic acid?
The IUPAC name of (2S)-2-amino-3-(1H-indazol-6-yl)propanoic acid (CID 96765286) is (2S)-2-amino-3-(1H-indazol-6-yl)propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-(1H-indazol-6-yl)propanoic acid?
The canonical SMILES for (2S)-2-amino-3-(1H-indazol-6-yl)propanoic acid is N[C@@H](Cc1ccc2cn[nH]c2c1)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-(1H-indazol-6-yl)propanoic acid?
The InChIKey is OYMNKWWOWKDCMR-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H11N3O2/c11-8(10(14)15)3-6-1-2-7-5-12-13-9(7)4-6/h1-2,4-5,8H,3,11H2,(H,12,13)(H,14,15)/t8-/m0/s1.
What are the key properties of (2S)-2-amino-3-(1H-indazol-6-yl)propanoic acid?
(2S)-2-amino-3-(1H-indazol-6-yl)propanoic acid has a molecular weight of 205.22 g/mol, XLogP of 0.52, 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-(1H-indazol-6-yl)propanoic acid is sourced from PubChem (CID 96765286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).