(2R)-2-[methyl-[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carbonyl]amino]propanoic acid

C15H22N4O4 — CID 125134220

IUPAC(2R)-2-[methyl-[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carbonyl]amino]propanoic acid
SMILESC[C@H](C(=O)O)N(C)C(=O)[C@H]1CCC(=O)N(C)[C@H]1c1cnn(C)c1
InChIInChI=1S/C15H22N4O4/c1-9(15(22)23)18(3)14(21)11-5-6-12(20)19(4)13(11)10-7-16-17(2)8-10/h7-9,11,13H,5-6H2,1-4H3,(H,22,23)/t9-,11+,13+/m1/s1
InChIKeyLVLDOELZYCMONB-CDMKHQONSA-N
MW322.37 g/mol
LogP0.26
Rot. Bonds4

About (2R)-2-[methyl-[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carbonyl]amino]propanoic acid

(2R)-2-[methyl-[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carbonyl]amino]propanoic acid (PubChem CID 125134220) has the molecular formula C15H22N4O4 and a molecular weight of 322.37 g/mol. Its IUPAC name is (2R)-2-[methyl-[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[methyl-[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carbonyl]amino]propanoic acid
PubChem CID125134220
Molecular FormulaC15H22N4O4
Molecular Weight322.37 g/mol
Exact Mass322.16
IUPAC Name(2R)-2-[methyl-[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carbonyl]amino]propanoic acid
SMILESC[C@H](C(=O)O)N(C)C(=O)[C@H]1CCC(=O)N(C)[C@H]1c1cnn(C)c1
InChIInChI=1S/C15H22N4O4/c1-9(15(22)23)18(3)14(21)11-5-6-12(20)19(4)13(11)10-7-16-17(2)8-10/h7-9,11,13H,5-6H2,1-4H3,(H,22,23)/t9-,11+,13+/m1/s1
InChIKeyLVLDOELZYCMONB-CDMKHQONSA-N
XLogP0.26
TPSA95.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-2-[methyl-[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carbonyl]amino]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[methyl-[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carbonyl]amino]propanoic acid?
The IUPAC name of (2R)-2-[methyl-[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carbonyl]amino]propanoic acid (CID 125134220) is (2R)-2-[methyl-[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carbonyl]amino]propanoic acid.
What is the SMILES notation for (2R)-2-[methyl-[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carbonyl]amino]propanoic acid?
The canonical SMILES for (2R)-2-[methyl-[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carbonyl]amino]propanoic acid is C[C@H](C(=O)O)N(C)C(=O)[C@H]1CCC(=O)N(C)[C@H]1c1cnn(C)c1.
What is the InChIKey of (2R)-2-[methyl-[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carbonyl]amino]propanoic acid?
The InChIKey is LVLDOELZYCMONB-CDMKHQONSA-N. The full InChI is InChI=1S/C15H22N4O4/c1-9(15(22)23)18(3)14(21)11-5-6-12(20)19(4)13(11)10-7-16-17(2)8-10/h7-9,11,13H,5-6H2,1-4H3,(H,22,23)/t9-,11+,13+/m1/s1.
What are the key properties of (2R)-2-[methyl-[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carbonyl]amino]propanoic acid?
(2R)-2-[methyl-[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carbonyl]amino]propanoic acid has a molecular weight of 322.37 g/mol, XLogP of 0.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[methyl-[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carbonyl]amino]propanoic acid is sourced from PubChem (CID 125134220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).