(2S)-2-(1H-pyrazole-4-carbonylamino)propanoic acid

C7H9N3O3 — CID 61132576

IUPAC(2S)-2-(1H-pyrazole-4-carbonylamino)propanoic acid
SMILESC[C@H](NC(=O)c1cn[nH]c1)C(=O)O
InChIInChI=1S/C7H9N3O3/c1-4(7(12)13)10-6(11)5-2-8-9-3-5/h2-4H,1H3,(H,8,9)(H,10,11)(H,12,13)/t4-/m0/s1
InChIKeyTVFRAZDSKDYMLF-BYPYZUCNSA-N
MW183.17 g/mol
LogP-0.39
Rot. Bonds3

About (2S)-2-(1H-pyrazole-4-carbonylamino)propanoic acid

(2S)-2-(1H-pyrazole-4-carbonylamino)propanoic acid (PubChem CID 61132576) has the molecular formula C7H9N3O3 and a molecular weight of 183.17 g/mol. Its IUPAC name is (2S)-2-(1H-pyrazole-4-carbonylamino)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(1H-pyrazole-4-carbonylamino)propanoic acid
PubChem CID61132576
Molecular FormulaC7H9N3O3
Molecular Weight183.17 g/mol
Exact Mass183.06
IUPAC Name(2S)-2-(1H-pyrazole-4-carbonylamino)propanoic acid
SMILESC[C@H](NC(=O)c1cn[nH]c1)C(=O)O
InChIInChI=1S/C7H9N3O3/c1-4(7(12)13)10-6(11)5-2-8-9-3-5/h2-4H,1H3,(H,8,9)(H,10,11)(H,12,13)/t4-/m0/s1
InChIKeyTVFRAZDSKDYMLF-BYPYZUCNSA-N
XLogP-0.39
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1H-pyrazole-4-carbonylamino)propanoic acid?
The IUPAC name of (2S)-2-(1H-pyrazole-4-carbonylamino)propanoic acid (CID 61132576) is (2S)-2-(1H-pyrazole-4-carbonylamino)propanoic acid.
What is the SMILES notation for (2S)-2-(1H-pyrazole-4-carbonylamino)propanoic acid?
The canonical SMILES for (2S)-2-(1H-pyrazole-4-carbonylamino)propanoic acid is C[C@H](NC(=O)c1cn[nH]c1)C(=O)O.
What is the InChIKey of (2S)-2-(1H-pyrazole-4-carbonylamino)propanoic acid?
The InChIKey is TVFRAZDSKDYMLF-BYPYZUCNSA-N. The full InChI is InChI=1S/C7H9N3O3/c1-4(7(12)13)10-6(11)5-2-8-9-3-5/h2-4H,1H3,(H,8,9)(H,10,11)(H,12,13)/t4-/m0/s1.
What are the key properties of (2S)-2-(1H-pyrazole-4-carbonylamino)propanoic acid?
(2S)-2-(1H-pyrazole-4-carbonylamino)propanoic acid has a molecular weight of 183.17 g/mol, XLogP of -0.39, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1H-pyrazole-4-carbonylamino)propanoic acid is sourced from PubChem (CID 61132576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).