(2R,3S)-2-methyl-6-oxo-1-(1H-pyrazol-4-yl)piperidine-3-carboxylic acid

C10H13N3O3 — CID 96605914

IUPAC(2R,3S)-2-methyl-6-oxo-1-(1H-pyrazol-4-yl)piperidine-3-carboxylic acid
SMILESC[C@@H]1[C@@H](C(=O)O)CCC(=O)N1c1cn[nH]c1
InChIInChI=1S/C10H13N3O3/c1-6-8(10(15)16)2-3-9(14)13(6)7-4-11-12-5-7/h4-6,8H,2-3H2,1H3,(H,11,12)(H,15,16)/t6-,8+/m1/s1
InChIKeyLNSZBEZVDHANMH-SVRRBLITSA-N
MW223.23 g/mol
LogP0.63
Rot. Bonds2

About (2R,3S)-2-methyl-6-oxo-1-(1H-pyrazol-4-yl)piperidine-3-carboxylic acid

(2R,3S)-2-methyl-6-oxo-1-(1H-pyrazol-4-yl)piperidine-3-carboxylic acid (PubChem CID 96605914) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is (2R,3S)-2-methyl-6-oxo-1-(1H-pyrazol-4-yl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(2R,3S)-2-methyl-6-oxo-1-(1H-pyrazol-4-yl)piperidine-3-carboxylic acid
PubChem CID96605914
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name(2R,3S)-2-methyl-6-oxo-1-(1H-pyrazol-4-yl)piperidine-3-carboxylic acid
SMILESC[C@@H]1[C@@H](C(=O)O)CCC(=O)N1c1cn[nH]c1
InChIInChI=1S/C10H13N3O3/c1-6-8(10(15)16)2-3-9(14)13(6)7-4-11-12-5-7/h4-6,8H,2-3H2,1H3,(H,11,12)(H,15,16)/t6-,8+/m1/s1
InChIKeyLNSZBEZVDHANMH-SVRRBLITSA-N
XLogP0.63
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1H-pyrazol-4-yl)piperidine-4-carboxylic acid
CID 82647068
4-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-1H-pyrazole
CID 95566830
3,5-dimethyl-1-(1H-pyrazol-4-yl)piperidine
CID 131154051
(2R,3R)-2-methyl-5-oxo-1-phenylpyrrolidine-3-carboxylic acid
CID 124510271
1-(6-methyl-3-pyridinyl)-5-oxopyrrolidine-2-carboxylic acid
CID 171100779
1-(4-fluorophenyl)-2-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylic acid
CID 171320532
3-methyl-1-(1H-pyrazol-4-yl)piperidine
CID 131085917
2-[2-oxo-3-(1H-pyrazol-4-yl)-1,3-oxazolidin-5-yl]acetic acid
CID 82394690
cis-(1S,2R)-2-(1H-pyrazol-4-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 93311811
1-(4-methoxyphenyl)-2-(4-methylphenyl)-6-oxopiperidine-3-carboxylic acid
CID 171320483
5-ethyl-2-(1H-pyrazol-4-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 114513084
(2R,3R)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylic acid
CID 7127617

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-methyl-6-oxo-1-(1H-pyrazol-4-yl)piperidine-3-carboxylic acid?
The IUPAC name of (2R,3S)-2-methyl-6-oxo-1-(1H-pyrazol-4-yl)piperidine-3-carboxylic acid (CID 96605914) is (2R,3S)-2-methyl-6-oxo-1-(1H-pyrazol-4-yl)piperidine-3-carboxylic acid.
What is the SMILES notation for (2R,3S)-2-methyl-6-oxo-1-(1H-pyrazol-4-yl)piperidine-3-carboxylic acid?
The canonical SMILES for (2R,3S)-2-methyl-6-oxo-1-(1H-pyrazol-4-yl)piperidine-3-carboxylic acid is C[C@@H]1[C@@H](C(=O)O)CCC(=O)N1c1cn[nH]c1.
What is the InChIKey of (2R,3S)-2-methyl-6-oxo-1-(1H-pyrazol-4-yl)piperidine-3-carboxylic acid?
The InChIKey is LNSZBEZVDHANMH-SVRRBLITSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-6-8(10(15)16)2-3-9(14)13(6)7-4-11-12-5-7/h4-6,8H,2-3H2,1H3,(H,11,12)(H,15,16)/t6-,8+/m1/s1.
What are the key properties of (2R,3S)-2-methyl-6-oxo-1-(1H-pyrazol-4-yl)piperidine-3-carboxylic acid?
(2R,3S)-2-methyl-6-oxo-1-(1H-pyrazol-4-yl)piperidine-3-carboxylic acid has a molecular weight of 223.23 g/mol, XLogP of 0.63, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-methyl-6-oxo-1-(1H-pyrazol-4-yl)piperidine-3-carboxylic acid is sourced from PubChem (CID 96605914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).