(2S)-2-(pyrazol-1-ylamino)propanoic acid

C6H9N3O2 — CID 66706007

IUPAC(2S)-2-(pyrazol-1-ylamino)propanoic acid
SMILESC[C@H](Nn1cccn1)C(=O)O
InChIInChI=1S/C6H9N3O2/c1-5(6(10)11)8-9-4-2-3-7-9/h2-5,8H,1H3,(H,10,11)/t5-/m0/s1
InChIKeyCNRHEQDQFIJTSG-YFKPBYRVSA-N
MW155.16 g/mol
LogP-0.10
Rot. Bonds3

About (2S)-2-(pyrazol-1-ylamino)propanoic acid

(2S)-2-(pyrazol-1-ylamino)propanoic acid (PubChem CID 66706007) has the molecular formula C6H9N3O2 and a molecular weight of 155.16 g/mol. Its IUPAC name is (2S)-2-(pyrazol-1-ylamino)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(pyrazol-1-ylamino)propanoic acid
PubChem CID66706007
Molecular FormulaC6H9N3O2
Molecular Weight155.16 g/mol
Exact Mass155.07
IUPAC Name(2S)-2-(pyrazol-1-ylamino)propanoic acid
SMILESC[C@H](Nn1cccn1)C(=O)O
InChIInChI=1S/C6H9N3O2/c1-5(6(10)11)8-9-4-2-3-7-9/h2-5,8H,1H3,(H,10,11)/t5-/m0/s1
InChIKeyCNRHEQDQFIJTSG-YFKPBYRVSA-N
XLogP-0.10
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(pyrazol-1-ylamino)propanoic acid?
The IUPAC name of (2S)-2-(pyrazol-1-ylamino)propanoic acid (CID 66706007) is (2S)-2-(pyrazol-1-ylamino)propanoic acid.
What is the SMILES notation for (2S)-2-(pyrazol-1-ylamino)propanoic acid?
The canonical SMILES for (2S)-2-(pyrazol-1-ylamino)propanoic acid is C[C@H](Nn1cccn1)C(=O)O.
What is the InChIKey of (2S)-2-(pyrazol-1-ylamino)propanoic acid?
The InChIKey is CNRHEQDQFIJTSG-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H9N3O2/c1-5(6(10)11)8-9-4-2-3-7-9/h2-5,8H,1H3,(H,10,11)/t5-/m0/s1.
What are the key properties of (2S)-2-(pyrazol-1-ylamino)propanoic acid?
(2S)-2-(pyrazol-1-ylamino)propanoic acid has a molecular weight of 155.16 g/mol, XLogP of -0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(pyrazol-1-ylamino)propanoic acid is sourced from PubChem (CID 66706007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).