methyl 3-[2-methylpropyl-(6-oxopiperidine-3-carbonyl)amino]propanoate

C14H24N2O4 — CID 112732298

IUPACmethyl 3-[2-methylpropyl-(6-oxopiperidine-3-carbonyl)amino]propanoate
SMILESCOC(=O)CCN(CC(C)C)C(=O)C1CCC(=O)NC1
InChIInChI=1S/C14H24N2O4/c1-10(2)9-16(7-6-13(18)20-3)14(19)11-4-5-12(17)15-8-11/h10-11H,4-9H2,1-3H3,(H,15,17)
InChIKeyLVJAVQRYGLZOBD-UHFFFAOYSA-N
MW284.36 g/mol
LogP0.56
Rot. Bonds6

About methyl 3-[2-methylpropyl-(6-oxopiperidine-3-carbonyl)amino]propanoate

methyl 3-[2-methylpropyl-(6-oxopiperidine-3-carbonyl)amino]propanoate (PubChem CID 112732298) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is methyl 3-[2-methylpropyl-(6-oxopiperidine-3-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[2-methylpropyl-(6-oxopiperidine-3-carbonyl)amino]propanoate
PubChem CID112732298
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Namemethyl 3-[2-methylpropyl-(6-oxopiperidine-3-carbonyl)amino]propanoate
SMILESCOC(=O)CCN(CC(C)C)C(=O)C1CCC(=O)NC1
InChIInChI=1S/C14H24N2O4/c1-10(2)9-16(7-6-13(18)20-3)14(19)11-4-5-12(17)15-8-11/h10-11H,4-9H2,1-3H3,(H,15,17)
InChIKeyLVJAVQRYGLZOBD-UHFFFAOYSA-N
XLogP0.56
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[2-methylpropyl-(5-oxopyrrolidine-3-carbonyl)amino]propanoate
CID 78981696
methyl 3-[2-methylpropyl-[(2R)-pyrrolidine-2-carbonyl]amino]propanoate
CID 93373232
N-ethyl-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 78981630
cis-(1S,2R)-2-[(3-methoxy-3-oxopropyl)-(2-methylpropyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 93378828
3-[cyclopropyl-(6-oxopiperidine-3-carbonyl)amino]propanoic acid
CID 83192342
N-(3-hydroxybutyl)-N-methyl-6-oxopiperidine-3-carboxamide
CID 115691430
methyl 3-[2-methylpropyl-[1-(2-nitrophenyl)piperidine-4-carbonyl]amino]propanoate
CID 55820734
methyl 3-[[2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetyl]-(2-methylpropyl)amino]propanoate
CID 55891032
methyl 3-[2-methylpropyl(3-piperidin-4-ylpropanoyl)amino]propanoate
CID 62209865
N-(2-methylpropyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 78981416
2-[2-methylpropyl-(5-oxopyrrolidine-2-carbonyl)amino]acetic acid
CID 63072039
N-methyl-N-(2-methylbutan-2-yl)-6-oxopiperidine-3-carboxamide
CID 78994366

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-methylpropyl-(6-oxopiperidine-3-carbonyl)amino]propanoate?
The IUPAC name of methyl 3-[2-methylpropyl-(6-oxopiperidine-3-carbonyl)amino]propanoate (CID 112732298) is methyl 3-[2-methylpropyl-(6-oxopiperidine-3-carbonyl)amino]propanoate.
What is the SMILES notation for methyl 3-[2-methylpropyl-(6-oxopiperidine-3-carbonyl)amino]propanoate?
The canonical SMILES for methyl 3-[2-methylpropyl-(6-oxopiperidine-3-carbonyl)amino]propanoate is COC(=O)CCN(CC(C)C)C(=O)C1CCC(=O)NC1.
What is the InChIKey of methyl 3-[2-methylpropyl-(6-oxopiperidine-3-carbonyl)amino]propanoate?
The InChIKey is LVJAVQRYGLZOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-10(2)9-16(7-6-13(18)20-3)14(19)11-4-5-12(17)15-8-11/h10-11H,4-9H2,1-3H3,(H,15,17).
What are the key properties of methyl 3-[2-methylpropyl-(6-oxopiperidine-3-carbonyl)amino]propanoate?
methyl 3-[2-methylpropyl-(6-oxopiperidine-3-carbonyl)amino]propanoate has a molecular weight of 284.36 g/mol, XLogP of 0.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-methylpropyl-(6-oxopiperidine-3-carbonyl)amino]propanoate is sourced from PubChem (CID 112732298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).