methyl 6-(hydroxymethyl)-1-[2-(methylamino)butanoyl]piperidine-2-carboxylate

C13H24N2O4 — CID 22955198

IUPACmethyl 6-(hydroxymethyl)-1-[2-(methylamino)butanoyl]piperidine-2-carboxylate
SMILESCCC(NC)C(=O)N1C(CO)CCCC1C(=O)OC
InChIInChI=1S/C13H24N2O4/c1-4-10(14-2)12(17)15-9(8-16)6-5-7-11(15)13(18)19-3/h9-11,14,16H,4-8H2,1-3H3
InChIKeyCTVIVXQSTFNQCB-UHFFFAOYSA-N
MW272.34 g/mol
LogP-0.10
Rot. Bonds5

About methyl 6-(hydroxymethyl)-1-[2-(methylamino)butanoyl]piperidine-2-carboxylate

methyl 6-(hydroxymethyl)-1-[2-(methylamino)butanoyl]piperidine-2-carboxylate (PubChem CID 22955198) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is methyl 6-(hydroxymethyl)-1-[2-(methylamino)butanoyl]piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(hydroxymethyl)-1-[2-(methylamino)butanoyl]piperidine-2-carboxylate
PubChem CID22955198
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Namemethyl 6-(hydroxymethyl)-1-[2-(methylamino)butanoyl]piperidine-2-carboxylate
SMILESCCC(NC)C(=O)N1C(CO)CCCC1C(=O)OC
InChIInChI=1S/C13H24N2O4/c1-4-10(14-2)12(17)15-9(8-16)6-5-7-11(15)13(18)19-3/h9-11,14,16H,4-8H2,1-3H3
InChIKeyCTVIVXQSTFNQCB-UHFFFAOYSA-N
XLogP-0.10
TPSA78.87 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 ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

dimethyl 6-propylpiperidine-1,2-dicarboxylate
CID 71338696
methyl (2S,6R)-1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoyl]-6-prop-2-enylpiperidine-2-carboxylate
CID 58741984
1-O-tert-butyl 2-O-methyl 6-propylpiperidine-1,2-dicarboxylate
CID 59679477
methyl (2S)-1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]-5-(2-oxoethyl)pyrrolidine-2-carboxylate
CID 58159037
methyl 1-[2-methyl-3-(methylamino)propanoyl]piperidine-2-carboxylate
CID 79202285
methyl 1-(2-bromobutanoyl)pyrrolidine-2-carboxylate
CID 62855013
hydroperoxymethane;methane;(2S)-1-[2-(methylamino)pentanoyl]pyrrolidine-2-carboxylic acid;methyl (2S)-1-[2-(methylamino)pentanoyl]pyrrolidine-2-carboxylate
CID 162101166
methyl 1-(2-cyanobutanoyl)piperidine-2-carboxylate
CID 113330465
methyl 1-(2-aminobutanoyl)piperidine-2-carboxylate
CID 60938498
1-O-benzyl 2-O-methyl (2S,5R)-5-(hydroxymethyl)pyrrolidine-1,2-dicarboxylate
CID 15382863
1-O-tert-butyl 2-O-methyl (2S,6R)-6-prop-2-enylpiperidine-1,2-dicarboxylate
CID 67092681
methyl (2R)-1-(2-methylpentanoyl)piperidine-2-carboxylate
CID 79832824

Frequently Asked Questions

What is the IUPAC name of methyl 6-(hydroxymethyl)-1-[2-(methylamino)butanoyl]piperidine-2-carboxylate?
The IUPAC name of methyl 6-(hydroxymethyl)-1-[2-(methylamino)butanoyl]piperidine-2-carboxylate (CID 22955198) is methyl 6-(hydroxymethyl)-1-[2-(methylamino)butanoyl]piperidine-2-carboxylate.
What is the SMILES notation for methyl 6-(hydroxymethyl)-1-[2-(methylamino)butanoyl]piperidine-2-carboxylate?
The canonical SMILES for methyl 6-(hydroxymethyl)-1-[2-(methylamino)butanoyl]piperidine-2-carboxylate is CCC(NC)C(=O)N1C(CO)CCCC1C(=O)OC.
What is the InChIKey of methyl 6-(hydroxymethyl)-1-[2-(methylamino)butanoyl]piperidine-2-carboxylate?
The InChIKey is CTVIVXQSTFNQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-4-10(14-2)12(17)15-9(8-16)6-5-7-11(15)13(18)19-3/h9-11,14,16H,4-8H2,1-3H3.
What are the key properties of methyl 6-(hydroxymethyl)-1-[2-(methylamino)butanoyl]piperidine-2-carboxylate?
methyl 6-(hydroxymethyl)-1-[2-(methylamino)butanoyl]piperidine-2-carboxylate has a molecular weight of 272.34 g/mol, XLogP of -0.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(hydroxymethyl)-1-[2-(methylamino)butanoyl]piperidine-2-carboxylate is sourced from PubChem (CID 22955198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).