methyl 2-methyl-3-[methyl-(3-methylpiperidine-4-carbonyl)amino]propanoate

C13H24N2O3 — CID 114278839

IUPACmethyl 2-methyl-3-[methyl-(3-methylpiperidine-4-carbonyl)amino]propanoate
SMILESCOC(=O)C(C)CN(C)C(=O)C1CCNCC1C
InChIInChI=1S/C13H24N2O3/c1-9-7-14-6-5-11(9)12(16)15(3)8-10(2)13(17)18-4/h9-11,14H,5-8H2,1-4H3
InChIKeyYSXCPJBGZSMGPQ-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.50
Rot. Bonds4

About methyl 2-methyl-3-[methyl-(3-methylpiperidine-4-carbonyl)amino]propanoate

methyl 2-methyl-3-[methyl-(3-methylpiperidine-4-carbonyl)amino]propanoate (PubChem CID 114278839) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is methyl 2-methyl-3-[methyl-(3-methylpiperidine-4-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-3-[methyl-(3-methylpiperidine-4-carbonyl)amino]propanoate
PubChem CID114278839
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Namemethyl 2-methyl-3-[methyl-(3-methylpiperidine-4-carbonyl)amino]propanoate
SMILESCOC(=O)C(C)CN(C)C(=O)C1CCNCC1C
InChIInChI=1S/C13H24N2O3/c1-9-7-14-6-5-11(9)12(16)15(3)8-10(2)13(17)18-4/h9-11,14H,5-8H2,1-4H3
InChIKeyYSXCPJBGZSMGPQ-UHFFFAOYSA-N
XLogP0.50
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-methyl-3-[methyl-(3-methylpiperidine-4-carbonyl)amino]propanoate 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

methyl 2-methyl-3-[methyl-(2-methyloxolane-3-carbonyl)amino]propanoate
CID 79763237
2-[(3-methoxy-2-methyl-3-oxopropyl)-methylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114390721
methyl 2-methyl-3-[methyl(pyrrolidine-2-carbonyl)amino]propanoate
CID 60963906
N-methoxy-3-methylpiperidine-4-carboxamide
CID 130516234
methyl 2-methyl-3-[methyl-(5-oxopyrrolidine-3-carbonyl)amino]propanoate
CID 78981244
methyl 2-methyl-3-[methyl-(5-methyloxolane-3-carbonyl)amino]propanoate
CID 114826525
methyl 2-methyl-3-[methyl-(2-oxo-1,3-thiazolidine-4-carbonyl)amino]propanoate
CID 55008549
methyl 3-[[4-(ethylamino)oxolane-3-carbonyl]-methylamino]-2-methylpropanoate
CID 66259275
methyl 3-[(2,2-dimethylcyclopentanecarbonyl)-methylamino]-2-methylpropanoate
CID 104919723
ethyl (3S,4R)-3-methylpiperidine-4-carboxylate
CID 27282207
ethyl (3S,4S)-3-methylpiperidine-4-carboxylate
CID 27282210
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N,2-dimethylcyclopentane-1-carboxamide
CID 107178688

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-[methyl-(3-methylpiperidine-4-carbonyl)amino]propanoate?
The IUPAC name of methyl 2-methyl-3-[methyl-(3-methylpiperidine-4-carbonyl)amino]propanoate (CID 114278839) is methyl 2-methyl-3-[methyl-(3-methylpiperidine-4-carbonyl)amino]propanoate.
What is the SMILES notation for methyl 2-methyl-3-[methyl-(3-methylpiperidine-4-carbonyl)amino]propanoate?
The canonical SMILES for methyl 2-methyl-3-[methyl-(3-methylpiperidine-4-carbonyl)amino]propanoate is COC(=O)C(C)CN(C)C(=O)C1CCNCC1C.
What is the InChIKey of methyl 2-methyl-3-[methyl-(3-methylpiperidine-4-carbonyl)amino]propanoate?
The InChIKey is YSXCPJBGZSMGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-9-7-14-6-5-11(9)12(16)15(3)8-10(2)13(17)18-4/h9-11,14H,5-8H2,1-4H3.
What are the key properties of methyl 2-methyl-3-[methyl-(3-methylpiperidine-4-carbonyl)amino]propanoate?
methyl 2-methyl-3-[methyl-(3-methylpiperidine-4-carbonyl)amino]propanoate has a molecular weight of 256.35 g/mol, XLogP of 0.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-[methyl-(3-methylpiperidine-4-carbonyl)amino]propanoate is sourced from PubChem (CID 114278839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).