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

C13H24N2O3 — CID 120633653

IUPACethyl 2-methyl-3-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]propanoate
SMILESCCOC(=O)C(C)CNC(=O)[C@H]1CCN[C@@H](C)C1
InChIInChI=1S/C13H24N2O3/c1-4-18-13(17)9(2)8-15-12(16)11-5-6-14-10(3)7-11/h9-11,14H,4-8H2,1-3H3,(H,15,16)/t9?,10-,11-/m0/s1
InChIKeyAMWZOBCVHUXLNZ-DVRYWGNFSA-N
MW256.35 g/mol
LogP0.69
Rot. Bonds5

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

ethyl 2-methyl-3-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]propanoate (PubChem CID 120633653) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is ethyl 2-methyl-3-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]propanoate.

Molecular Properties

Compound Nameethyl 2-methyl-3-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]propanoate
PubChem CID120633653
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Nameethyl 2-methyl-3-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]propanoate
SMILESCCOC(=O)C(C)CNC(=O)[C@H]1CCN[C@@H](C)C1
InChIInChI=1S/C13H24N2O3/c1-4-18-13(17)9(2)8-15-12(16)11-5-6-14-10(3)7-11/h9-11,14H,4-8H2,1-3H3,(H,15,16)/t9?,10-,11-/m0/s1
InChIKeyAMWZOBCVHUXLNZ-DVRYWGNFSA-N
XLogP0.69
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethyl 2-methyl-3-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]propanoate with MolForge

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Related Compounds

ethyl 2-methyl-3-(piperidine-4-carbonylamino)propanoate
CID 119326846
(2S,4S)-N-[(2S)-2-hydroxypropyl]-2-methylpiperidine-4-carboxamide
CID 130877690
ethyl 3-[(3-aminocyclopentanecarbonyl)amino]-2-methylpropanoate
CID 119789233
ethyl 3-[(2-methylpiperidine-4-carbonyl)amino]propanoate
CID 106739889
(2S,4S)-2-methyl-N-(2-methylsulfanylpropyl)piperidine-4-carboxamide;hydrochloride
CID 120639864
(2S,4S)-N-(2-ethylhexyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120615953
(2S,4S)-2-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]piperidine-4-carboxamide
CID 120635200
(2S,4S)-N-(4-ethoxybutyl)-2-methylpiperidine-4-carboxamide
CID 120622256
N-(2-hydroxyethyl)-2-methylpiperidine-4-carboxamide
CID 106738732
2-methyl-N-prop-2-ynylpiperidine-4-carboxamide
CID 106738666
2-methylpentyl 2-methylpiperidine-4-carboxylate
CID 106743825
N-[2-[butan-2-yl(methyl)amino]ethyl]-2-methylpiperidine-4-carboxamide
CID 106832156

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-3-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]propanoate?
The IUPAC name of ethyl 2-methyl-3-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]propanoate (CID 120633653) is ethyl 2-methyl-3-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]propanoate.
What is the SMILES notation for ethyl 2-methyl-3-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]propanoate?
The canonical SMILES for ethyl 2-methyl-3-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]propanoate is CCOC(=O)C(C)CNC(=O)[C@H]1CCN[C@@H](C)C1.
What is the InChIKey of ethyl 2-methyl-3-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]propanoate?
The InChIKey is AMWZOBCVHUXLNZ-DVRYWGNFSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-4-18-13(17)9(2)8-15-12(16)11-5-6-14-10(3)7-11/h9-11,14H,4-8H2,1-3H3,(H,15,16)/t9?,10-,11-/m0/s1.
What are the key properties of ethyl 2-methyl-3-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]propanoate?
ethyl 2-methyl-3-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]propanoate has a molecular weight of 256.35 g/mol, XLogP of 0.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-3-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]propanoate is sourced from PubChem (CID 120633653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).