(2R)-2-[(2,5-dimethylpyrazole-3-carbonyl)amino]-4-hydroxybutanoic acid

C10H15N3O4 — CID 107823484

IUPAC(2R)-2-[(2,5-dimethylpyrazole-3-carbonyl)amino]-4-hydroxybutanoic acid
SMILESCc1cc(C(=O)N[C@H](CCO)C(=O)O)n(C)n1
InChIInChI=1S/C10H15N3O4/c1-6-5-8(13(2)12-6)9(15)11-7(3-4-14)10(16)17/h5,7,14H,3-4H2,1-2H3,(H,11,15)(H,16,17)/t7-/m1/s1
InChIKeyONAGYVZXQDDVJU-SSDOTTSWSA-N
MW241.25 g/mol
LogP-0.71
Rot. Bonds5

About (2R)-2-[(2,5-dimethylpyrazole-3-carbonyl)amino]-4-hydroxybutanoic acid

(2R)-2-[(2,5-dimethylpyrazole-3-carbonyl)amino]-4-hydroxybutanoic acid (PubChem CID 107823484) has the molecular formula C10H15N3O4 and a molecular weight of 241.25 g/mol. Its IUPAC name is (2R)-2-[(2,5-dimethylpyrazole-3-carbonyl)amino]-4-hydroxybutanoic acid.

Molecular Properties

Compound Name(2R)-2-[(2,5-dimethylpyrazole-3-carbonyl)amino]-4-hydroxybutanoic acid
PubChem CID107823484
Molecular FormulaC10H15N3O4
Molecular Weight241.25 g/mol
Exact Mass241.11
IUPAC Name(2R)-2-[(2,5-dimethylpyrazole-3-carbonyl)amino]-4-hydroxybutanoic acid
SMILESCc1cc(C(=O)N[C@H](CCO)C(=O)O)n(C)n1
InChIInChI=1S/C10H15N3O4/c1-6-5-8(13(2)12-6)9(15)11-7(3-4-14)10(16)17/h5,7,14H,3-4H2,1-2H3,(H,11,15)(H,16,17)/t7-/m1/s1
InChIKeyONAGYVZXQDDVJU-SSDOTTSWSA-N
XLogP-0.71
TPSA104.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 5-0.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-5-amino-2-[(2,5-dimethylpyrazole-3-carbonyl)amino]-5-oxopentanoic acid
CID 107829989
(2S)-2-[(2,5-dimethylpyrazole-3-carbonyl)amino]-5-ethoxy-5-oxopentanoic acid
CID 107039125
(2S)-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]pentanedioic acid
CID 66126115
(2R)-2-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]-4-hydroxybutanoic acid
CID 107823246
(2R)-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-3-hydroxypropanoic acid
CID 80750940
N-[(1R)-3-hydroxy-1-thiophen-2-ylpropyl]-2,5-dimethylpyrazole-3-carboxamide
CID 97247908
(2S,3R)-2-[(2,5-dimethylpyrazole-3-carbonyl)amino]-3-hydroxybutanoic acid
CID 104964855
(2S)-2-[(2,5-dimethylpyrazole-3-carbonyl)amino]-3,3-dimethylbutanoic acid
CID 66126250
(2S)-4-hydroxy-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]butanoic acid
CID 107822436
2-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]-4-hydroxybutanoic acid
CID 61243298
4-hydroxy-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]butanoic acid
CID 61242547
N-benzhydryl-2,5-dimethylpyrazole-3-carboxamide
CID 87023695

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2,5-dimethylpyrazole-3-carbonyl)amino]-4-hydroxybutanoic acid?
The IUPAC name of (2R)-2-[(2,5-dimethylpyrazole-3-carbonyl)amino]-4-hydroxybutanoic acid (CID 107823484) is (2R)-2-[(2,5-dimethylpyrazole-3-carbonyl)amino]-4-hydroxybutanoic acid.
What is the SMILES notation for (2R)-2-[(2,5-dimethylpyrazole-3-carbonyl)amino]-4-hydroxybutanoic acid?
The canonical SMILES for (2R)-2-[(2,5-dimethylpyrazole-3-carbonyl)amino]-4-hydroxybutanoic acid is Cc1cc(C(=O)N[C@H](CCO)C(=O)O)n(C)n1.
What is the InChIKey of (2R)-2-[(2,5-dimethylpyrazole-3-carbonyl)amino]-4-hydroxybutanoic acid?
The InChIKey is ONAGYVZXQDDVJU-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H15N3O4/c1-6-5-8(13(2)12-6)9(15)11-7(3-4-14)10(16)17/h5,7,14H,3-4H2,1-2H3,(H,11,15)(H,16,17)/t7-/m1/s1.
What are the key properties of (2R)-2-[(2,5-dimethylpyrazole-3-carbonyl)amino]-4-hydroxybutanoic acid?
(2R)-2-[(2,5-dimethylpyrazole-3-carbonyl)amino]-4-hydroxybutanoic acid has a molecular weight of 241.25 g/mol, XLogP of -0.71, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2,5-dimethylpyrazole-3-carbonyl)amino]-4-hydroxybutanoic acid is sourced from PubChem (CID 107823484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).