(2R)-2-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-4-hydroxybutanoic acid

C11H17N3O4 — CID 114004974

IUPAC(2R)-2-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-4-hydroxybutanoic acid
SMILESCCc1nn(C)cc1C(=O)N[C@H](CCO)C(=O)O
InChIInChI=1S/C11H17N3O4/c1-3-8-7(6-14(2)13-8)10(16)12-9(4-5-15)11(17)18/h6,9,15H,3-5H2,1-2H3,(H,12,16)(H,17,18)/t9-/m1/s1
InChIKeySHPPUYOCBZPOEE-SECBINFHSA-N
MW255.27 g/mol
LogP-0.45
Rot. Bonds6

About (2R)-2-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-4-hydroxybutanoic acid

(2R)-2-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-4-hydroxybutanoic acid (PubChem CID 114004974) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is (2R)-2-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-4-hydroxybutanoic acid.

Molecular Properties

Compound Name(2R)-2-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-4-hydroxybutanoic acid
PubChem CID114004974
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Name(2R)-2-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-4-hydroxybutanoic acid
SMILESCCc1nn(C)cc1C(=O)N[C@H](CCO)C(=O)O
InChIInChI=1S/C11H17N3O4/c1-3-8-7(6-14(2)13-8)10(16)12-9(4-5-15)11(17)18/h6,9,15H,3-5H2,1-2H3,(H,12,16)(H,17,18)/t9-/m1/s1
InChIKeySHPPUYOCBZPOEE-SECBINFHSA-N
XLogP-0.45
TPSA104.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 5-0.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethyl-N-(1-hydroxy-4-methylpentan-3-yl)-1-methylpyrazole-4-carboxamide
CID 103894208
(2R)-2-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoylamino]-4-hydroxybutanoic acid
CID 107828790
methyl 2-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-3-hydroxypropanoate
CID 104964317
2-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-3-methylbutanoic acid
CID 102810054
3-ethyl-N-[(2R)-1-hydroxypropan-2-yl]-1-methylpyrazole-4-carboxamide
CID 102810885
4-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-2-methylbutanoic acid
CID 102810267
N-(4-aminobutan-2-yl)-3-ethyl-1-methylpyrazole-4-carboxamide
CID 102809915
3-ethyl-1-methyl-N-(1-phenylbutyl)pyrazole-4-carboxamide
CID 166195891
(2S)-3-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-2-hydroxypropanoic acid
CID 107833163
N-but-3-yn-2-yl-3-ethyl-1-methylpyrazole-4-carboxamide
CID 104919693
N-(1-cyanobutyl)-3-ethyl-1-methylpyrazole-4-carboxamide
CID 103893927
(2R)-2-[(4-ethylthiadiazole-5-carbonyl)amino]-4-hydroxybutanoic acid
CID 107823345

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-4-hydroxybutanoic acid?
The IUPAC name of (2R)-2-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-4-hydroxybutanoic acid (CID 114004974) is (2R)-2-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-4-hydroxybutanoic acid.
What is the SMILES notation for (2R)-2-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-4-hydroxybutanoic acid?
The canonical SMILES for (2R)-2-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-4-hydroxybutanoic acid is CCc1nn(C)cc1C(=O)N[C@H](CCO)C(=O)O.
What is the InChIKey of (2R)-2-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-4-hydroxybutanoic acid?
The InChIKey is SHPPUYOCBZPOEE-SECBINFHSA-N. The full InChI is InChI=1S/C11H17N3O4/c1-3-8-7(6-14(2)13-8)10(16)12-9(4-5-15)11(17)18/h6,9,15H,3-5H2,1-2H3,(H,12,16)(H,17,18)/t9-/m1/s1.
What are the key properties of (2R)-2-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-4-hydroxybutanoic acid?
(2R)-2-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-4-hydroxybutanoic acid has a molecular weight of 255.27 g/mol, XLogP of -0.45, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-4-hydroxybutanoic acid is sourced from PubChem (CID 114004974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).