methyl (2R)-3,3-dimethyl-2-[[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]amino]butanoate

C15H28N2O3 — CID 97238732

IUPACmethyl (2R)-3,3-dimethyl-2-[[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]amino]butanoate
SMILESCOC(=O)[C@H](NCC(=O)N1CCC[C@@H](C)C1)C(C)(C)C
InChIInChI=1S/C15H28N2O3/c1-11-7-6-8-17(10-11)12(18)9-16-13(14(19)20-5)15(2,3)4/h11,13,16H,6-10H2,1-5H3/t11-,13+/m1/s1
InChIKeyJVVHJMBIOFSBQN-YPMHNXCESA-N
MW284.40 g/mol
LogP1.42
Rot. Bonds4

About methyl (2R)-3,3-dimethyl-2-[[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]amino]butanoate

methyl (2R)-3,3-dimethyl-2-[[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]amino]butanoate (PubChem CID 97238732) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is methyl (2R)-3,3-dimethyl-2-[[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]amino]butanoate.

Molecular Properties

Compound Namemethyl (2R)-3,3-dimethyl-2-[[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]amino]butanoate
PubChem CID97238732
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Namemethyl (2R)-3,3-dimethyl-2-[[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]amino]butanoate
SMILESCOC(=O)[C@H](NCC(=O)N1CCC[C@@H](C)C1)C(C)(C)C
InChIInChI=1S/C15H28N2O3/c1-11-7-6-8-17(10-11)12(18)9-16-13(14(19)20-5)15(2,3)4/h11,13,16H,6-10H2,1-5H3/t11-,13+/m1/s1
InChIKeyJVVHJMBIOFSBQN-YPMHNXCESA-N
XLogP1.42
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl (2R)-3,3-dimethyl-2-[[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]amino]butanoate with MolForge

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

Launch Full Analysis

Related Compounds

2-(cyclopropylamino)-1-[(3R)-3-methylpiperidin-1-yl]ethanone
CID 93300981
tert-butyl N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]carbamate;propane
CID 142306619
2-(3,5-dimethoxyanilino)-1-[(3S)-3-methylpiperidin-1-yl]ethanone
CID 51726355
methyl 2-[[1-(dimethylcarbamoyl)piperidine-3-carbonyl]amino]-3,3-dimethylbutanoate
CID 75372384
2-[[(1S)-1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]amino]-1-[(3R)-3-methylpiperidin-1-yl]ethanone
CID 97334210
methyl 2-[[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]benzoate
CID 109006552
methyl N-methyl-N-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]carbamate
CID 94152272
methyl 2-[methyl-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]acetate
CID 60698117
4-[[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]benzamide
CID 47123026
methyl 2-methyl-3-[methyl-(3-methylpiperidine-1-carbonyl)amino]propanoate
CID 79162858
methyl (2R)-2-methyl-3-[(3S)-3-methylpiperidin-1-yl]propanoate
CID 93035160
1-(3-methylpiperidin-1-yl)-2-(pentylamino)ethanone
CID 109005936

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-3,3-dimethyl-2-[[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]amino]butanoate?
The IUPAC name of methyl (2R)-3,3-dimethyl-2-[[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]amino]butanoate (CID 97238732) is methyl (2R)-3,3-dimethyl-2-[[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]amino]butanoate.
What is the SMILES notation for methyl (2R)-3,3-dimethyl-2-[[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]amino]butanoate?
The canonical SMILES for methyl (2R)-3,3-dimethyl-2-[[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]amino]butanoate is COC(=O)[C@H](NCC(=O)N1CCC[C@@H](C)C1)C(C)(C)C.
What is the InChIKey of methyl (2R)-3,3-dimethyl-2-[[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]amino]butanoate?
The InChIKey is JVVHJMBIOFSBQN-YPMHNXCESA-N. The full InChI is InChI=1S/C15H28N2O3/c1-11-7-6-8-17(10-11)12(18)9-16-13(14(19)20-5)15(2,3)4/h11,13,16H,6-10H2,1-5H3/t11-,13+/m1/s1.
What are the key properties of methyl (2R)-3,3-dimethyl-2-[[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]amino]butanoate?
methyl (2R)-3,3-dimethyl-2-[[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]amino]butanoate has a molecular weight of 284.40 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-3,3-dimethyl-2-[[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]amino]butanoate is sourced from PubChem (CID 97238732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).