(2S)-2-(1H-indazol-4-ylamino)propanoic acid

C10H11N3O2 — CID 175797922

IUPAC(2S)-2-(1H-indazol-4-ylamino)propanoic acid
SMILESC[C@H](Nc1cccc2[nH]ncc12)C(=O)O
InChIInChI=1S/C10H11N3O2/c1-6(10(14)15)12-8-3-2-4-9-7(8)5-11-13-9/h2-6,12H,1H3,(H,11,13)(H,14,15)/t6-/m0/s1
InChIKeyZKHUFVGQYVOEGZ-LURJTMIESA-N
MW205.22 g/mol
LogP1.45
Rot. Bonds3

About (2S)-2-(1H-indazol-4-ylamino)propanoic acid

(2S)-2-(1H-indazol-4-ylamino)propanoic acid (PubChem CID 175797922) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is (2S)-2-(1H-indazol-4-ylamino)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(1H-indazol-4-ylamino)propanoic acid
PubChem CID175797922
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name(2S)-2-(1H-indazol-4-ylamino)propanoic acid
SMILESC[C@H](Nc1cccc2[nH]ncc12)C(=O)O
InChIInChI=1S/C10H11N3O2/c1-6(10(14)15)12-8-3-2-4-9-7(8)5-11-13-9/h2-6,12H,1H3,(H,11,13)(H,14,15)/t6-/m0/s1
InChIKeyZKHUFVGQYVOEGZ-LURJTMIESA-N
XLogP1.45
TPSA78.01 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 ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1H-indazol-4-ylamino)propanoic acid?
The IUPAC name of (2S)-2-(1H-indazol-4-ylamino)propanoic acid (CID 175797922) is (2S)-2-(1H-indazol-4-ylamino)propanoic acid.
What is the SMILES notation for (2S)-2-(1H-indazol-4-ylamino)propanoic acid?
The canonical SMILES for (2S)-2-(1H-indazol-4-ylamino)propanoic acid is C[C@H](Nc1cccc2[nH]ncc12)C(=O)O.
What is the InChIKey of (2S)-2-(1H-indazol-4-ylamino)propanoic acid?
The InChIKey is ZKHUFVGQYVOEGZ-LURJTMIESA-N. The full InChI is InChI=1S/C10H11N3O2/c1-6(10(14)15)12-8-3-2-4-9-7(8)5-11-13-9/h2-6,12H,1H3,(H,11,13)(H,14,15)/t6-/m0/s1.
What are the key properties of (2S)-2-(1H-indazol-4-ylamino)propanoic acid?
(2S)-2-(1H-indazol-4-ylamino)propanoic acid has a molecular weight of 205.22 g/mol, XLogP of 1.45, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1H-indazol-4-ylamino)propanoic acid is sourced from PubChem (CID 175797922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).