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

C13H24N2O4 — CID 120637972

IUPACmethyl 3-methoxy-2-methyl-2-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]propanoate
SMILESCOCC(C)(NC(=O)[C@H]1CCN[C@@H](C)C1)C(=O)OC
InChIInChI=1S/C13H24N2O4/c1-9-7-10(5-6-14-9)11(16)15-13(2,8-18-3)12(17)19-4/h9-10,14H,5-8H2,1-4H3,(H,15,16)/t9-,10-,13?/m0/s1
InChIKeyFEPOMXTUKIDQFQ-UCBNGSGESA-N
MW272.34 g/mol
LogP0.07
Rot. Bonds5

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

methyl 3-methoxy-2-methyl-2-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]propanoate (PubChem CID 120637972) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is methyl 3-methoxy-2-methyl-2-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-methoxy-2-methyl-2-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]propanoate
PubChem CID120637972
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Namemethyl 3-methoxy-2-methyl-2-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]propanoate
SMILESCOCC(C)(NC(=O)[C@H]1CCN[C@@H](C)C1)C(=O)OC
InChIInChI=1S/C13H24N2O4/c1-9-7-10(5-6-14-9)11(16)15-13(2,8-18-3)12(17)19-4/h9-10,14H,5-8H2,1-4H3,(H,15,16)/t9-,10-,13?/m0/s1
InChIKeyFEPOMXTUKIDQFQ-UCBNGSGESA-N
XLogP0.07
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

methyl 2,2-dimethyl-3-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]propanoate
CID 120633673
methyl 2-[(3-aminocyclopentanecarbonyl)amino]-3-methoxy-2-methylpropanoate;hydrochloride
CID 119815286
2-cyclopropyl-2-[(2-methylpiperidine-4-carbonyl)amino]propanoic acid
CID 106739615
methyl 2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-3-methoxy-2-methylpropanoate
CID 119815297
N-(cyanomethyl)-2-methylpiperidine-4-carboxamide
CID 106739785
methyl 2-methylpiperidine-4-carboxylate;hydrochloride
CID 121333420
(2S,4S)-N-(2-cyclopropylethyl)-2-methylpiperidine-4-carboxamide
CID 120633867
2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbonylamino)-3-methoxy-2-methylpropanoic acid
CID 120531853
N-(2-hydroxyethyl)-2-methylpiperidine-4-carboxamide
CID 106738732
2-methyl-N-prop-2-ynylpiperidine-4-carboxamide
CID 106738666
2-[(2-methylpiperidine-4-carbonyl)amino]oxyacetic acid
CID 106740682
N-(3-hydroxy-4-methoxybutyl)-2-methylpiperidine-4-carboxamide
CID 106832212

Frequently Asked Questions

What is the IUPAC name of methyl 3-methoxy-2-methyl-2-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]propanoate?
The IUPAC name of methyl 3-methoxy-2-methyl-2-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]propanoate (CID 120637972) is methyl 3-methoxy-2-methyl-2-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]propanoate.
What is the SMILES notation for methyl 3-methoxy-2-methyl-2-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]propanoate?
The canonical SMILES for methyl 3-methoxy-2-methyl-2-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]propanoate is COCC(C)(NC(=O)[C@H]1CCN[C@@H](C)C1)C(=O)OC.
What is the InChIKey of methyl 3-methoxy-2-methyl-2-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]propanoate?
The InChIKey is FEPOMXTUKIDQFQ-UCBNGSGESA-N. The full InChI is InChI=1S/C13H24N2O4/c1-9-7-10(5-6-14-9)11(16)15-13(2,8-18-3)12(17)19-4/h9-10,14H,5-8H2,1-4H3,(H,15,16)/t9-,10-,13?/m0/s1.
What are the key properties of methyl 3-methoxy-2-methyl-2-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]propanoate?
methyl 3-methoxy-2-methyl-2-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]propanoate has a molecular weight of 272.34 g/mol, XLogP of 0.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methoxy-2-methyl-2-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]propanoate is sourced from PubChem (CID 120637972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).