(2S)-3-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-2-hydroxypropanoic acid

C10H15N3O4 — CID 107833163

IUPAC(2S)-3-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-2-hydroxypropanoic acid
SMILESCCc1nn(C)cc1C(=O)NC[C@H](O)C(=O)O
InChIInChI=1S/C10H15N3O4/c1-3-7-6(5-13(2)12-7)9(15)11-4-8(14)10(16)17/h5,8,14H,3-4H2,1-2H3,(H,11,15)(H,16,17)/t8-/m0/s1
InChIKeyANRONGURHXCTIN-QMMMGPOBSA-N
MW241.25 g/mol
LogP-0.84
Rot. Bonds5

About (2S)-3-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-2-hydroxypropanoic acid

(2S)-3-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-2-hydroxypropanoic acid (PubChem CID 107833163) has the molecular formula C10H15N3O4 and a molecular weight of 241.25 g/mol. Its IUPAC name is (2S)-3-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-2-hydroxypropanoic acid.

Molecular Properties

Compound Name(2S)-3-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-2-hydroxypropanoic acid
PubChem CID107833163
Molecular FormulaC10H15N3O4
Molecular Weight241.25 g/mol
Exact Mass241.11
IUPAC Name(2S)-3-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-2-hydroxypropanoic acid
SMILESCCc1nn(C)cc1C(=O)NC[C@H](O)C(=O)O
InChIInChI=1S/C10H15N3O4/c1-3-7-6(5-13(2)12-7)9(15)11-4-8(14)10(16)17/h5,8,14H,3-4H2,1-2H3,(H,11,15)(H,16,17)/t8-/m0/s1
InChIKeyANRONGURHXCTIN-QMMMGPOBSA-N
XLogP-0.84
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 ≤ 5-0.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-3-[(1,3-dimethylpyrazole-4-carbonyl)amino]-2-hydroxypropanoic acid
CID 107833607
3-ethyl-N-(2-hydroxy-3-methylbutyl)-1-methylpyrazole-4-carboxamide
CID 103894225
N-(3,3-difluoro-2-hydroxypropyl)-3-ethyl-1-methylpyrazole-4-carboxamide
CID 103894223
N-(2-bromopropyl)-3-ethyl-1-methylpyrazole-4-carboxamide
CID 102811310
(2S)-3-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoylamino]-2-hydroxypropanoic acid
CID 114007698
4-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-2-methylbutanoic acid
CID 102810267
N-(2-chloroethyl)-3-ethyl-1-methylpyrazole-4-carboxamide
CID 102810778
2-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-3-methylbutanoic acid
CID 102810054
3-ethyl-N-[2-(ethylamino)ethyl]-1-methylpyrazole-4-carboxamide
CID 102810944
(2R)-2-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-4-hydroxybutanoic acid
CID 114004974
3-ethyl-N-(6-hydroxyhexyl)-1-methylpyrazole-4-carboxamide
CID 103919211
N-[(E)-4-chlorobut-2-enyl]-3-ethyl-1-methylpyrazole-4-carboxamide
CID 102810780

Frequently Asked Questions

What is the IUPAC name of (2S)-3-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-2-hydroxypropanoic acid?
The IUPAC name of (2S)-3-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-2-hydroxypropanoic acid (CID 107833163) is (2S)-3-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-2-hydroxypropanoic acid.
What is the SMILES notation for (2S)-3-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-2-hydroxypropanoic acid?
The canonical SMILES for (2S)-3-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-2-hydroxypropanoic acid is CCc1nn(C)cc1C(=O)NC[C@H](O)C(=O)O.
What is the InChIKey of (2S)-3-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-2-hydroxypropanoic acid?
The InChIKey is ANRONGURHXCTIN-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H15N3O4/c1-3-7-6(5-13(2)12-7)9(15)11-4-8(14)10(16)17/h5,8,14H,3-4H2,1-2H3,(H,11,15)(H,16,17)/t8-/m0/s1.
What are the key properties of (2S)-3-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-2-hydroxypropanoic acid?
(2S)-3-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-2-hydroxypropanoic acid has a molecular weight of 241.25 g/mol, XLogP of -0.84, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-2-hydroxypropanoic acid is sourced from PubChem (CID 107833163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).