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

C6H9N3O2 — CID 57127127

IUPAC(2R)-2-amino-2-(1H-pyrazol-5-yl)propanoic acid
SMILESC[C@](N)(C(=O)O)c1ccn[nH]1
InChIInChI=1S/C6H9N3O2/c1-6(7,5(10)11)4-2-3-8-9-4/h2-3H,7H2,1H3,(H,8,9)(H,10,11)/t6-/m1/s1
InChIKeyLGNBMFQZXFLZAE-ZCFIWIBFSA-N
MW155.16 g/mol
LogP-0.33
Rot. Bonds2

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

(2R)-2-amino-2-(1H-pyrazol-5-yl)propanoic acid (PubChem CID 57127127) has the molecular formula C6H9N3O2 and a molecular weight of 155.16 g/mol. Its IUPAC name is (2R)-2-amino-2-(1H-pyrazol-5-yl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-2-(1H-pyrazol-5-yl)propanoic acid
PubChem CID57127127
Molecular FormulaC6H9N3O2
Molecular Weight155.16 g/mol
Exact Mass155.07
IUPAC Name(2R)-2-amino-2-(1H-pyrazol-5-yl)propanoic acid
SMILESC[C@](N)(C(=O)O)c1ccn[nH]1
InChIInChI=1S/C6H9N3O2/c1-6(7,5(10)11)4-2-3-8-9-4/h2-3H,7H2,1H3,(H,8,9)(H,10,11)/t6-/m1/s1
InChIKeyLGNBMFQZXFLZAE-ZCFIWIBFSA-N
XLogP-0.33
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 5-0.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(1H-pyrazol-5-yl)propanoic acid?
The IUPAC name of (2R)-2-amino-2-(1H-pyrazol-5-yl)propanoic acid (CID 57127127) is (2R)-2-amino-2-(1H-pyrazol-5-yl)propanoic acid.
What is the SMILES notation for (2R)-2-amino-2-(1H-pyrazol-5-yl)propanoic acid?
The canonical SMILES for (2R)-2-amino-2-(1H-pyrazol-5-yl)propanoic acid is C[C@](N)(C(=O)O)c1ccn[nH]1.
What is the InChIKey of (2R)-2-amino-2-(1H-pyrazol-5-yl)propanoic acid?
The InChIKey is LGNBMFQZXFLZAE-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H9N3O2/c1-6(7,5(10)11)4-2-3-8-9-4/h2-3H,7H2,1H3,(H,8,9)(H,10,11)/t6-/m1/s1.
What are the key properties of (2R)-2-amino-2-(1H-pyrazol-5-yl)propanoic acid?
(2R)-2-amino-2-(1H-pyrazol-5-yl)propanoic acid has a molecular weight of 155.16 g/mol, XLogP of -0.33, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-(1H-pyrazol-5-yl)propanoic acid is sourced from PubChem (CID 57127127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).