(2R)-4-methyl-2-[[[(4R)-1-methyl-2-oxopiperidine-4-carbonyl]amino]methyl]pentanoic acid

C14H24N2O4 — CID 124610332

IUPAC(2R)-4-methyl-2-[[[(4R)-1-methyl-2-oxopiperidine-4-carbonyl]amino]methyl]pentanoic acid
SMILESCC(C)C[C@H](CNC(=O)[C@@H]1CCN(C)C(=O)C1)C(=O)O
InChIInChI=1S/C14H24N2O4/c1-9(2)6-11(14(19)20)8-15-13(18)10-4-5-16(3)12(17)7-10/h9-11H,4-8H2,1-3H3,(H,15,18)(H,19,20)/t10-,11-/m1/s1
InChIKeyULVYXTDJZHWZLA-GHMZBOCLSA-N
MW284.36 g/mol
LogP0.72
Rot. Bonds6

About (2R)-4-methyl-2-[[[(4R)-1-methyl-2-oxopiperidine-4-carbonyl]amino]methyl]pentanoic acid

(2R)-4-methyl-2-[[[(4R)-1-methyl-2-oxopiperidine-4-carbonyl]amino]methyl]pentanoic acid (PubChem CID 124610332) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is (2R)-4-methyl-2-[[[(4R)-1-methyl-2-oxopiperidine-4-carbonyl]amino]methyl]pentanoic acid.

Molecular Properties

Compound Name(2R)-4-methyl-2-[[[(4R)-1-methyl-2-oxopiperidine-4-carbonyl]amino]methyl]pentanoic acid
PubChem CID124610332
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name(2R)-4-methyl-2-[[[(4R)-1-methyl-2-oxopiperidine-4-carbonyl]amino]methyl]pentanoic acid
SMILESCC(C)C[C@H](CNC(=O)[C@@H]1CCN(C)C(=O)C1)C(=O)O
InChIInChI=1S/C14H24N2O4/c1-9(2)6-11(14(19)20)8-15-13(18)10-4-5-16(3)12(17)7-10/h9-11H,4-8H2,1-3H3,(H,15,18)(H,19,20)/t10-,11-/m1/s1
InChIKeyULVYXTDJZHWZLA-GHMZBOCLSA-N
XLogP0.72
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-4-methyl-2-[[[(4R)-1-methyl-2-oxopiperidine-4-carbonyl]amino]methyl]pentanoic acid with MolForge

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Launch Full Analysis

Related Compounds

2-[[(1-methyl-2-oxopiperidine-4-carbonyl)amino]methyl]-3-naphthalen-1-ylpropanoic acid
CID 119245555
N-(2,2-diphenylethyl)-1-methyl-2-oxopiperidine-4-carboxamide
CID 75460632
4-methyl-2-[[(6-oxopiperidine-3-carbonyl)amino]methyl]pentanoic acid
CID 83192606
2,2-dimethyl-3-[[(4R)-1-methyl-2-oxopiperidine-4-carbonyl]amino]propanoic acid
CID 124570818
2-[[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]methyl]butanoic acid
CID 65220584
4-methyl-2-[[[(2R)-oxolane-2-carbonyl]amino]methyl]pentanoic acid
CID 104855855
1-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-oxopiperidine-4-carboxamide
CID 75460640
4-methyl-2-[[[1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carbonyl]amino]methyl]pentanoic acid
CID 119253367
(2R)-2-[[(4S)-1-methyl-2-oxopiperidine-4-carbonyl]amino]-3-phenylpropanoic acid
CID 97215052
N-(1-amino-2,3-dimethylbutan-2-yl)-1-methyl-2-oxopiperidine-4-carboxamide;hydrochloride
CID 119607916
2-[[(2-cyclobutylacetyl)amino]methyl]-4-methylpentanoic acid
CID 103925732
1-methyl-2-oxo-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]piperidine-4-carboxamide
CID 75461103

Frequently Asked Questions

What is the IUPAC name of (2R)-4-methyl-2-[[[(4R)-1-methyl-2-oxopiperidine-4-carbonyl]amino]methyl]pentanoic acid?
The IUPAC name of (2R)-4-methyl-2-[[[(4R)-1-methyl-2-oxopiperidine-4-carbonyl]amino]methyl]pentanoic acid (CID 124610332) is (2R)-4-methyl-2-[[[(4R)-1-methyl-2-oxopiperidine-4-carbonyl]amino]methyl]pentanoic acid.
What is the SMILES notation for (2R)-4-methyl-2-[[[(4R)-1-methyl-2-oxopiperidine-4-carbonyl]amino]methyl]pentanoic acid?
The canonical SMILES for (2R)-4-methyl-2-[[[(4R)-1-methyl-2-oxopiperidine-4-carbonyl]amino]methyl]pentanoic acid is CC(C)C[C@H](CNC(=O)[C@@H]1CCN(C)C(=O)C1)C(=O)O.
What is the InChIKey of (2R)-4-methyl-2-[[[(4R)-1-methyl-2-oxopiperidine-4-carbonyl]amino]methyl]pentanoic acid?
The InChIKey is ULVYXTDJZHWZLA-GHMZBOCLSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-9(2)6-11(14(19)20)8-15-13(18)10-4-5-16(3)12(17)7-10/h9-11H,4-8H2,1-3H3,(H,15,18)(H,19,20)/t10-,11-/m1/s1.
What are the key properties of (2R)-4-methyl-2-[[[(4R)-1-methyl-2-oxopiperidine-4-carbonyl]amino]methyl]pentanoic acid?
(2R)-4-methyl-2-[[[(4R)-1-methyl-2-oxopiperidine-4-carbonyl]amino]methyl]pentanoic acid has a molecular weight of 284.36 g/mol, XLogP of 0.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-methyl-2-[[[(4R)-1-methyl-2-oxopiperidine-4-carbonyl]amino]methyl]pentanoic acid is sourced from PubChem (CID 124610332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).