methyl (2S)-4-methyl-2-[(4-methylpiperidine-1-carbonyl)amino]pentanoate

C14H26N2O3 — CID 944347

IUPACmethyl (2S)-4-methyl-2-[(4-methylpiperidine-1-carbonyl)amino]pentanoate
SMILESCOC(=O)[C@H](CC(C)C)NC(=O)N1CCC(C)CC1
InChIInChI=1S/C14H26N2O3/c1-10(2)9-12(13(17)19-4)15-14(18)16-7-5-11(3)6-8-16/h10-12H,5-9H2,1-4H3,(H,15,18)/t12-/m0/s1
InChIKeyKSKDMRCVMVAMNI-LBPRGKRZSA-N
MW270.37 g/mol
LogP2.02
Rot. Bonds4

About methyl (2S)-4-methyl-2-[(4-methylpiperidine-1-carbonyl)amino]pentanoate

methyl (2S)-4-methyl-2-[(4-methylpiperidine-1-carbonyl)amino]pentanoate (PubChem CID 944347) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is methyl (2S)-4-methyl-2-[(4-methylpiperidine-1-carbonyl)amino]pentanoate.

Molecular Properties

Compound Namemethyl (2S)-4-methyl-2-[(4-methylpiperidine-1-carbonyl)amino]pentanoate
PubChem CID944347
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Namemethyl (2S)-4-methyl-2-[(4-methylpiperidine-1-carbonyl)amino]pentanoate
SMILESCOC(=O)[C@H](CC(C)C)NC(=O)N1CCC(C)CC1
InChIInChI=1S/C14H26N2O3/c1-10(2)9-12(13(17)19-4)15-14(18)16-7-5-11(3)6-8-16/h10-12H,5-9H2,1-4H3,(H,15,18)/t12-/m0/s1
InChIKeyKSKDMRCVMVAMNI-LBPRGKRZSA-N
XLogP2.02
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl (2S)-4-methyl-2-[(4-methylpiperidine-1-carbonyl)amino]pentanoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-4-methyl-2-[(4-methylpiperidine-1-carbonyl)amino]pentanoate?
The IUPAC name of methyl (2S)-4-methyl-2-[(4-methylpiperidine-1-carbonyl)amino]pentanoate (CID 944347) is methyl (2S)-4-methyl-2-[(4-methylpiperidine-1-carbonyl)amino]pentanoate.
What is the SMILES notation for methyl (2S)-4-methyl-2-[(4-methylpiperidine-1-carbonyl)amino]pentanoate?
The canonical SMILES for methyl (2S)-4-methyl-2-[(4-methylpiperidine-1-carbonyl)amino]pentanoate is COC(=O)[C@H](CC(C)C)NC(=O)N1CCC(C)CC1.
What is the InChIKey of methyl (2S)-4-methyl-2-[(4-methylpiperidine-1-carbonyl)amino]pentanoate?
The InChIKey is KSKDMRCVMVAMNI-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-10(2)9-12(13(17)19-4)15-14(18)16-7-5-11(3)6-8-16/h10-12H,5-9H2,1-4H3,(H,15,18)/t12-/m0/s1.
What are the key properties of methyl (2S)-4-methyl-2-[(4-methylpiperidine-1-carbonyl)amino]pentanoate?
methyl (2S)-4-methyl-2-[(4-methylpiperidine-1-carbonyl)amino]pentanoate has a molecular weight of 270.37 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-4-methyl-2-[(4-methylpiperidine-1-carbonyl)amino]pentanoate is sourced from PubChem (CID 944347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).