(2R)-2-[(1,3-dimethylpyrazole-4-carbonyl)amino]propanoic acid

C9H13N3O3 — CID 103791188

IUPAC(2R)-2-[(1,3-dimethylpyrazole-4-carbonyl)amino]propanoic acid
SMILESCc1nn(C)cc1C(=O)N[C@H](C)C(=O)O
InChIInChI=1S/C9H13N3O3/c1-5-7(4-12(3)11-5)8(13)10-6(2)9(14)15/h4,6H,1-3H3,(H,10,13)(H,14,15)/t6-/m1/s1
InChIKeyXPSWKSNHUZIHOI-ZCFIWIBFSA-N
MW211.22 g/mol
LogP-0.07
Rot. Bonds3

About (2R)-2-[(1,3-dimethylpyrazole-4-carbonyl)amino]propanoic acid

(2R)-2-[(1,3-dimethylpyrazole-4-carbonyl)amino]propanoic acid (PubChem CID 103791188) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is (2R)-2-[(1,3-dimethylpyrazole-4-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[(1,3-dimethylpyrazole-4-carbonyl)amino]propanoic acid
PubChem CID103791188
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name(2R)-2-[(1,3-dimethylpyrazole-4-carbonyl)amino]propanoic acid
SMILESCc1nn(C)cc1C(=O)N[C@H](C)C(=O)O
InChIInChI=1S/C9H13N3O3/c1-5-7(4-12(3)11-5)8(13)10-6(2)9(14)15/h4,6H,1-3H3,(H,10,13)(H,14,15)/t6-/m1/s1
InChIKeyXPSWKSNHUZIHOI-ZCFIWIBFSA-N
XLogP-0.07
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(3-methyl-1-propan-2-ylpyrazole-4-carbonyl)amino]propanoic acid
CID 136583372
(2R)-2-[(1,3-dimethylpyrazole-4-carbonyl)amino]-4-methylpentanoic acid
CID 96582780
1,3-dimethyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrazole-4-carboxamide
CID 91938266
N-[(1R)-2-hydroxy-1-phenylethyl]-1,3-dimethylpyrazole-4-carboxamide
CID 103772742
N-(4-chloro-3-methylbutan-2-yl)-1,3-dimethylpyrazole-4-carboxamide
CID 102802412
2-[[(1,3-dimethylpyrazole-4-carbonyl)amino]methyl]-3-methylbutanoic acid
CID 102801287
(2S)-3-[(1,3-dimethylpyrazole-4-carbonyl)amino]-2-hydroxypropanoic acid
CID 107833607
N-tert-butyl-1,3-dimethylpyrazole-4-carboxamide
CID 42352825
1,3-dimethylpyrazole-4-carboxylic acid;ethane
CID 142969611
3-[[(1,3-dimethylpyrazole-4-carbonyl)amino]methyl]pentanoic acid
CID 102801321
1,3-dimethyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]pyrazole-4-carboxamide
CID 51390176
1,3-dimethyl-N-(1-methylpyrazol-3-yl)pyrazole-4-carboxamide
CID 19474955

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1,3-dimethylpyrazole-4-carbonyl)amino]propanoic acid?
The IUPAC name of (2R)-2-[(1,3-dimethylpyrazole-4-carbonyl)amino]propanoic acid (CID 103791188) is (2R)-2-[(1,3-dimethylpyrazole-4-carbonyl)amino]propanoic acid.
What is the SMILES notation for (2R)-2-[(1,3-dimethylpyrazole-4-carbonyl)amino]propanoic acid?
The canonical SMILES for (2R)-2-[(1,3-dimethylpyrazole-4-carbonyl)amino]propanoic acid is Cc1nn(C)cc1C(=O)N[C@H](C)C(=O)O.
What is the InChIKey of (2R)-2-[(1,3-dimethylpyrazole-4-carbonyl)amino]propanoic acid?
The InChIKey is XPSWKSNHUZIHOI-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-5-7(4-12(3)11-5)8(13)10-6(2)9(14)15/h4,6H,1-3H3,(H,10,13)(H,14,15)/t6-/m1/s1.
What are the key properties of (2R)-2-[(1,3-dimethylpyrazole-4-carbonyl)amino]propanoic acid?
(2R)-2-[(1,3-dimethylpyrazole-4-carbonyl)amino]propanoic acid has a molecular weight of 211.22 g/mol, XLogP of -0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1,3-dimethylpyrazole-4-carbonyl)amino]propanoic acid is sourced from PubChem (CID 103791188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).