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

C13H24N2O3 — CID 120633673

IUPACmethyl 2,2-dimethyl-3-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]propanoate
SMILESCOC(=O)C(C)(C)CNC(=O)[C@H]1CCN[C@@H](C)C1
InChIInChI=1S/C13H24N2O3/c1-9-7-10(5-6-14-9)11(16)15-8-13(2,3)12(17)18-4/h9-10,14H,5-8H2,1-4H3,(H,15,16)/t9-,10-/m0/s1
InChIKeyRYLOFMJNZZQKOV-UWVGGRQHSA-N
MW256.35 g/mol
LogP0.69
Rot. Bonds4

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

methyl 2,2-dimethyl-3-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]propanoate (PubChem CID 120633673) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is methyl 2,2-dimethyl-3-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 2,2-dimethyl-3-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]propanoate
PubChem CID120633673
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Namemethyl 2,2-dimethyl-3-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]propanoate
SMILESCOC(=O)C(C)(C)CNC(=O)[C@H]1CCN[C@@H](C)C1
InChIInChI=1S/C13H24N2O3/c1-9-7-10(5-6-14-9)11(16)15-8-13(2,3)12(17)18-4/h9-10,14H,5-8H2,1-4H3,(H,15,16)/t9-,10-/m0/s1
InChIKeyRYLOFMJNZZQKOV-UWVGGRQHSA-N
XLogP0.69
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
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 methyl 2,2-dimethyl-3-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]propanoate with MolForge

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Related Compounds

methyl 3-methoxy-2-methyl-2-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]propanoate
CID 120637972
methyl 3-[(3-aminocyclopentanecarbonyl)amino]-2,2-dimethylpropanoate
CID 119789350
N-[2-(methanesulfonamido)-2-methylpropyl]-2-methylpiperidine-4-carboxamide
CID 106740092
N-(cyanomethyl)-2-methylpiperidine-4-carboxamide
CID 106739785
2-methyl-N-(2-methyl-2-phenylpropyl)piperidine-4-carboxamide
CID 106739532
(2S,4S)-N-(2-cyclopropylethyl)-2-methylpiperidine-4-carboxamide
CID 120633867
N-(2-hydroxyethyl)-2-methylpiperidine-4-carboxamide
CID 106738732
2-methyl-N-prop-2-ynylpiperidine-4-carboxamide
CID 106738666
ethyl 3-[(2-methylpiperidine-4-carbonyl)amino]propanoate
CID 106739889
(2S,4S)-N-[(2S)-2-hydroxypropyl]-2-methylpiperidine-4-carboxamide
CID 130877690
2-methyl-N-[2-(4-methylcyclohexyl)ethyl]piperidine-4-carboxamide
CID 106740120
(2S,4S)-2-methyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)piperidine-4-carboxamide
CID 120630295

Frequently Asked Questions

What is the IUPAC name of methyl 2,2-dimethyl-3-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]propanoate?
The IUPAC name of methyl 2,2-dimethyl-3-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]propanoate (CID 120633673) is methyl 2,2-dimethyl-3-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]propanoate.
What is the SMILES notation for methyl 2,2-dimethyl-3-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]propanoate?
The canonical SMILES for methyl 2,2-dimethyl-3-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]propanoate is COC(=O)C(C)(C)CNC(=O)[C@H]1CCN[C@@H](C)C1.
What is the InChIKey of methyl 2,2-dimethyl-3-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]propanoate?
The InChIKey is RYLOFMJNZZQKOV-UWVGGRQHSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-9-7-10(5-6-14-9)11(16)15-8-13(2,3)12(17)18-4/h9-10,14H,5-8H2,1-4H3,(H,15,16)/t9-,10-/m0/s1.
What are the key properties of methyl 2,2-dimethyl-3-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]propanoate?
methyl 2,2-dimethyl-3-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]propanoate has a molecular weight of 256.35 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,2-dimethyl-3-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]propanoate is sourced from PubChem (CID 120633673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).