(2S,3R)-methyl 3-methyl-2-(4-methylpiperidine-1-carboxamido)pentanoate

C14H26N2O3 — CID 16405217

IUPACmethyl (2S)-3-methyl-2-[(4-methylpiperidine-1-carbonyl)amino]pentanoate
SMILESCCC(C)[C@@H](C(=O)OC)NC(=O)N1CCC(CC1)C
InChIInChI=1S/C14H26N2O3/c1-5-11(3)12(13(17)19-4)15-14(18)16-8-6-10(2)7-9-16/h10-12H,5-9H2,1-4H3,(H,15,18)/t11?,12-/m0/s1
InChIKeyVMIPSTCBMXIGQX-KIYNQFGBSA-N
MW270.37 g/mol
LogP2.50
Rot. Bonds5

About (2S,3R)-methyl 3-methyl-2-(4-methylpiperidine-1-carboxamido)pentanoate

(2S,3R)-methyl 3-methyl-2-(4-methylpiperidine-1-carboxamido)pentanoate (PubChem CID 16405217) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is methyl (2S)-3-methyl-2-[(4-methylpiperidine-1-carbonyl)amino]pentanoate.

Molecular Properties

Compound Name(2S,3R)-methyl 3-methyl-2-(4-methylpiperidine-1-carboxamido)pentanoate
PubChem CID16405217
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Namemethyl (2S)-3-methyl-2-[(4-methylpiperidine-1-carbonyl)amino]pentanoate
SMILESCCC(C)[C@@H](C(=O)OC)NC(=O)N1CCC(CC1)C
InChIInChI=1S/C14H26N2O3/c1-5-11(3)12(13(17)19-4)15-14(18)16-8-6-10(2)7-9-16/h10-12H,5-9H2,1-4H3,(H,15,18)/t11?,12-/m0/s1
InChIKeyVMIPSTCBMXIGQX-KIYNQFGBSA-N
XLogP2.50
TPSA58.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity312

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-methyl 3-methyl-2-(4-methylpiperidine-1-carboxamido)pentanoate?
The IUPAC name of (2S,3R)-methyl 3-methyl-2-(4-methylpiperidine-1-carboxamido)pentanoate (CID 16405217) is methyl (2S)-3-methyl-2-[(4-methylpiperidine-1-carbonyl)amino]pentanoate.
What is the SMILES notation for (2S,3R)-methyl 3-methyl-2-(4-methylpiperidine-1-carboxamido)pentanoate?
The canonical SMILES for (2S,3R)-methyl 3-methyl-2-(4-methylpiperidine-1-carboxamido)pentanoate is CCC(C)[C@@H](C(=O)OC)NC(=O)N1CCC(CC1)C.
What is the InChIKey of (2S,3R)-methyl 3-methyl-2-(4-methylpiperidine-1-carboxamido)pentanoate?
The InChIKey is VMIPSTCBMXIGQX-KIYNQFGBSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-5-11(3)12(13(17)19-4)15-14(18)16-8-6-10(2)7-9-16/h10-12H,5-9H2,1-4H3,(H,15,18)/t11?,12-/m0/s1.
What are the key properties of (2S,3R)-methyl 3-methyl-2-(4-methylpiperidine-1-carboxamido)pentanoate?
(2S,3R)-methyl 3-methyl-2-(4-methylpiperidine-1-carboxamido)pentanoate has a molecular weight of 270.37 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-methyl 3-methyl-2-(4-methylpiperidine-1-carboxamido)pentanoate is sourced from PubChem (CID 16405217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).