(2S)-2-amino-3-(1H-pyrazol-5-yl)propanoic acid

C6H9N3O2 — CID 22828923

IUPAC(2S)-2-amino-3-(1H-pyrazol-5-yl)propanoic acid
SMILESN[C@@H](Cc1ccn[nH]1)C(=O)O
InChIInChI=1S/C6H9N3O2/c7-5(6(10)11)3-4-1-2-8-9-4/h1-2,5H,3,7H2,(H,8,9)(H,10,11)/t5-/m0/s1
InChIKeyVOWKMMDXKYIBPG-YFKPBYRVSA-N
MW155.16 g/mol
LogP-0.64
Rot. Bonds3

About (2S)-2-amino-3-(1H-pyrazol-5-yl)propanoic acid

(2S)-2-amino-3-(1H-pyrazol-5-yl)propanoic acid (PubChem CID 22828923) has the molecular formula C6H9N3O2 and a molecular weight of 155.16 g/mol. Its IUPAC name is (2S)-2-amino-3-(1H-pyrazol-5-yl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-(1H-pyrazol-5-yl)propanoic acid
PubChem CID22828923
Molecular FormulaC6H9N3O2
Molecular Weight155.16 g/mol
Exact Mass155.07
IUPAC Name(2S)-2-amino-3-(1H-pyrazol-5-yl)propanoic acid
SMILESN[C@@H](Cc1ccn[nH]1)C(=O)O
InChIInChI=1S/C6H9N3O2/c7-5(6(10)11)3-4-1-2-8-9-4/h1-2,5H,3,7H2,(H,8,9)(H,10,11)/t5-/m0/s1
InChIKeyVOWKMMDXKYIBPG-YFKPBYRVSA-N
XLogP-0.64
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 5-0.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(1H-pyrazol-5-yl)propanoic acid?
The IUPAC name of (2S)-2-amino-3-(1H-pyrazol-5-yl)propanoic acid (CID 22828923) is (2S)-2-amino-3-(1H-pyrazol-5-yl)propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-(1H-pyrazol-5-yl)propanoic acid?
The canonical SMILES for (2S)-2-amino-3-(1H-pyrazol-5-yl)propanoic acid is N[C@@H](Cc1ccn[nH]1)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-(1H-pyrazol-5-yl)propanoic acid?
The InChIKey is VOWKMMDXKYIBPG-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H9N3O2/c7-5(6(10)11)3-4-1-2-8-9-4/h1-2,5H,3,7H2,(H,8,9)(H,10,11)/t5-/m0/s1.
What are the key properties of (2S)-2-amino-3-(1H-pyrazol-5-yl)propanoic acid?
(2S)-2-amino-3-(1H-pyrazol-5-yl)propanoic acid has a molecular weight of 155.16 g/mol, XLogP of -0.64, 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-pyrazol-5-yl)propanoic acid is sourced from PubChem (CID 22828923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).