(2R)-2-(1H-indazole-6-carbonylamino)propanoic acid

C11H11N3O3 — CID 51888645

IUPAC(2R)-2-(1H-indazole-6-carbonylamino)propanoic acid
SMILESC[C@@H](NC(=O)c1ccc2cn[nH]c2c1)C(=O)O
InChIInChI=1S/C11H11N3O3/c1-6(11(16)17)13-10(15)7-2-3-8-5-12-14-9(8)4-7/h2-6H,1H3,(H,12,14)(H,13,15)(H,16,17)/t6-/m1/s1
InChIKeyODGCEBJUGTUXKN-ZCFIWIBFSA-N
MW233.23 g/mol
LogP0.77
Rot. Bonds3

About (2R)-2-(1H-indazole-6-carbonylamino)propanoic acid

(2R)-2-(1H-indazole-6-carbonylamino)propanoic acid (PubChem CID 51888645) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is (2R)-2-(1H-indazole-6-carbonylamino)propanoic acid.

Molecular Properties

Compound Name(2R)-2-(1H-indazole-6-carbonylamino)propanoic acid
PubChem CID51888645
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC Name(2R)-2-(1H-indazole-6-carbonylamino)propanoic acid
SMILESC[C@@H](NC(=O)c1ccc2cn[nH]c2c1)C(=O)O
InChIInChI=1S/C11H11N3O3/c1-6(11(16)17)13-10(15)7-2-3-8-5-12-14-9(8)4-7/h2-6H,1H3,(H,12,14)(H,13,15)(H,16,17)/t6-/m1/s1
InChIKeyODGCEBJUGTUXKN-ZCFIWIBFSA-N
XLogP0.77
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-3-hydroxy-2-(1H-indazole-6-carbonylamino)propanoic acid
CID 80751119
N-(3-methylbutan-2-yl)-1H-indazole-6-carboxamide
CID 55023710
(2S)-2-(1H-indazole-6-carbonylamino)-4-methylpentanoic acid
CID 61154648
N-(1-hydroxy-4-methylpentan-3-yl)-1H-indazole-6-carboxamide
CID 106352905
N-(1-phenylpropan-2-yl)-1H-indazole-6-carboxamide
CID 63010618
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1H-indazole-6-carboxamide
CID 106156100
N-(1-aminobutan-2-yl)-1H-indazole-6-carboxamide
CID 65193937
N-[1-(2-fluorophenyl)ethyl]-1H-indazole-6-carboxamide
CID 60715178
N-(1-amino-4-methylpentan-2-yl)-1H-indazole-6-carboxamide
CID 63888929
N-[1-(3-fluorophenyl)ethyl]-1H-indazole-6-carboxamide
CID 60715179
(2R)-2-(1H-indazole-5-carbonylamino)-3-methylbutanoic acid
CID 79011193
2-hydroxy-3-(1H-indazole-6-carbonylamino)propanoic acid
CID 66166001

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1H-indazole-6-carbonylamino)propanoic acid?
The IUPAC name of (2R)-2-(1H-indazole-6-carbonylamino)propanoic acid (CID 51888645) is (2R)-2-(1H-indazole-6-carbonylamino)propanoic acid.
What is the SMILES notation for (2R)-2-(1H-indazole-6-carbonylamino)propanoic acid?
The canonical SMILES for (2R)-2-(1H-indazole-6-carbonylamino)propanoic acid is C[C@@H](NC(=O)c1ccc2cn[nH]c2c1)C(=O)O.
What is the InChIKey of (2R)-2-(1H-indazole-6-carbonylamino)propanoic acid?
The InChIKey is ODGCEBJUGTUXKN-ZCFIWIBFSA-N. The full InChI is InChI=1S/C11H11N3O3/c1-6(11(16)17)13-10(15)7-2-3-8-5-12-14-9(8)4-7/h2-6H,1H3,(H,12,14)(H,13,15)(H,16,17)/t6-/m1/s1.
What are the key properties of (2R)-2-(1H-indazole-6-carbonylamino)propanoic acid?
(2R)-2-(1H-indazole-6-carbonylamino)propanoic acid has a molecular weight of 233.23 g/mol, XLogP of 0.77, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1H-indazole-6-carbonylamino)propanoic acid is sourced from PubChem (CID 51888645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).