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

C10H15N3O4 — CID 104964855

IUPAC(2S,3R)-2-[(2,5-dimethylpyrazole-3-carbonyl)amino]-3-hydroxybutanoic acid
SMILESCc1cc(C(=O)N[C@H](C(=O)O)[C@@H](C)O)n(C)n1
InChIInChI=1S/C10H15N3O4/c1-5-4-7(13(3)12-5)9(15)11-8(6(2)14)10(16)17/h4,6,8,14H,1-3H3,(H,11,15)(H,16,17)/t6-,8+/m1/s1
InChIKeyNPCXOUWPCBKSBA-SVRRBLITSA-N
MW241.25 g/mol
LogP-0.71
Rot. Bonds4

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

(2S,3R)-2-[(2,5-dimethylpyrazole-3-carbonyl)amino]-3-hydroxybutanoic acid (PubChem CID 104964855) has the molecular formula C10H15N3O4 and a molecular weight of 241.25 g/mol. Its IUPAC name is (2S,3R)-2-[(2,5-dimethylpyrazole-3-carbonyl)amino]-3-hydroxybutanoic acid.

Molecular Properties

Compound Name(2S,3R)-2-[(2,5-dimethylpyrazole-3-carbonyl)amino]-3-hydroxybutanoic acid
PubChem CID104964855
Molecular FormulaC10H15N3O4
Molecular Weight241.25 g/mol
Exact Mass241.11
IUPAC Name(2S,3R)-2-[(2,5-dimethylpyrazole-3-carbonyl)amino]-3-hydroxybutanoic acid
SMILESCc1cc(C(=O)N[C@H](C(=O)O)[C@@H](C)O)n(C)n1
InChIInChI=1S/C10H15N3O4/c1-5-4-7(13(3)12-5)9(15)11-8(6(2)14)10(16)17/h4,6,8,14H,1-3H3,(H,11,15)(H,16,17)/t6-,8+/m1/s1
InChIKeyNPCXOUWPCBKSBA-SVRRBLITSA-N
XLogP-0.71
TPSA104.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
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

(2S)-2-[(2,5-dimethylpyrazole-3-carbonyl)amino]-3,3-dimethylbutanoic acid
CID 66126250
(2S,3R)-2-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]-3-hydroxybutanoic acid
CID 104965026
2-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]-3-hydroxybutanoic acid
CID 43170287
3-hydroxy-2-[(1-methylpyrrole-2-carbonyl)amino]butanoic acid
CID 43208802
(2R)-2-[(2,5-dimethylpyrazole-3-carbonyl)amino]-4-hydroxybutanoic acid
CID 107823484
N-benzhydryl-2,5-dimethylpyrazole-3-carboxamide
CID 87023695
2-[(4-bromo-1-methylpyrrole-2-carbonyl)amino]-3-hydroxybutanoic acid
CID 43208807
(2R)-5-amino-2-[(2,5-dimethylpyrazole-3-carbonyl)amino]-5-oxopentanoic acid
CID 107829989
N-(dicyclopropylmethyl)-2,5-dimethylpyrazole-3-carboxamide
CID 87024266
(2R)-2-[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]-3-methylbutanoic acid
CID 66120326
(2R,3S)-2-[[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]amino]-3-hydroxybutanoic acid
CID 72912017
3-hydroxy-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]butanoic acid
CID 43209737

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-[(2,5-dimethylpyrazole-3-carbonyl)amino]-3-hydroxybutanoic acid?
The IUPAC name of (2S,3R)-2-[(2,5-dimethylpyrazole-3-carbonyl)amino]-3-hydroxybutanoic acid (CID 104964855) is (2S,3R)-2-[(2,5-dimethylpyrazole-3-carbonyl)amino]-3-hydroxybutanoic acid.
What is the SMILES notation for (2S,3R)-2-[(2,5-dimethylpyrazole-3-carbonyl)amino]-3-hydroxybutanoic acid?
The canonical SMILES for (2S,3R)-2-[(2,5-dimethylpyrazole-3-carbonyl)amino]-3-hydroxybutanoic acid is Cc1cc(C(=O)N[C@H](C(=O)O)[C@@H](C)O)n(C)n1.
What is the InChIKey of (2S,3R)-2-[(2,5-dimethylpyrazole-3-carbonyl)amino]-3-hydroxybutanoic acid?
The InChIKey is NPCXOUWPCBKSBA-SVRRBLITSA-N. The full InChI is InChI=1S/C10H15N3O4/c1-5-4-7(13(3)12-5)9(15)11-8(6(2)14)10(16)17/h4,6,8,14H,1-3H3,(H,11,15)(H,16,17)/t6-,8+/m1/s1.
What are the key properties of (2S,3R)-2-[(2,5-dimethylpyrazole-3-carbonyl)amino]-3-hydroxybutanoic acid?
(2S,3R)-2-[(2,5-dimethylpyrazole-3-carbonyl)amino]-3-hydroxybutanoic acid has a molecular weight of 241.25 g/mol, XLogP of -0.71, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-[(2,5-dimethylpyrazole-3-carbonyl)amino]-3-hydroxybutanoic acid is sourced from PubChem (CID 104964855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).