methyl 2-[(3S)-3-[methyl(phenylmethoxycarbonyl)amino]-2-oxopiperidin-1-yl]acetate

C17H22N2O5 — CID 59056687

IUPACmethyl 2-[(3S)-3-[methyl(phenylmethoxycarbonyl)amino]-2-oxopiperidin-1-yl]acetate
SMILESCOC(=O)CN1CCC[C@H](N(C)C(=O)OCc2ccccc2)C1=O
InChIInChI=1S/C17H22N2O5/c1-18(17(22)24-12-13-7-4-3-5-8-13)14-9-6-10-19(16(14)21)11-15(20)23-2/h3-5,7-8,14H,6,9-12H2,1-2H3/t14-/m0/s1
InChIKeySEQKAWUGZIXVED-AWEZNQCLSA-N
MW334.37 g/mol
LogP1.42
Rot. Bonds5

About methyl 2-[(3S)-3-[methyl(phenylmethoxycarbonyl)amino]-2-oxopiperidin-1-yl]acetate

methyl 2-[(3S)-3-[methyl(phenylmethoxycarbonyl)amino]-2-oxopiperidin-1-yl]acetate (PubChem CID 59056687) has the molecular formula C17H22N2O5 and a molecular weight of 334.37 g/mol. Its IUPAC name is methyl 2-[(3S)-3-[methyl(phenylmethoxycarbonyl)amino]-2-oxopiperidin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(3S)-3-[methyl(phenylmethoxycarbonyl)amino]-2-oxopiperidin-1-yl]acetate
PubChem CID59056687
Molecular FormulaC17H22N2O5
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC Namemethyl 2-[(3S)-3-[methyl(phenylmethoxycarbonyl)amino]-2-oxopiperidin-1-yl]acetate
SMILESCOC(=O)CN1CCC[C@H](N(C)C(=O)OCc2ccccc2)C1=O
InChIInChI=1S/C17H22N2O5/c1-18(17(22)24-12-13-7-4-3-5-8-13)14-9-6-10-19(16(14)21)11-15(20)23-2/h3-5,7-8,14H,6,9-12H2,1-2H3/t14-/m0/s1
InChIKeySEQKAWUGZIXVED-AWEZNQCLSA-N
XLogP1.42
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(3R)-2-oxo-3-(phenylmethoxycarbonylamino)piperidin-1-yl]acetate
CID 71228630
benzyl N-methyl-N-(2-oxoazetidin-3-yl)carbamate
CID 90426419
2-[(3R)-3-[methyl(phenylmethoxycarbonyl)amino]piperidin-1-yl]acetic acid
CID 66566879
methyl 2-[(3S)-3-amino-2-oxopiperidin-1-yl]acetate
CID 10583700
tert-butyl (2S)-3-methyl-2-[(3R)-3-[methyl(phenylmethoxycarbonyl)amino]-2-oxopyrrolidin-1-yl]butanoate
CID 151769668
tert-butyl 2-[(3S)-2-oxo-3-(phenylmethoxycarbonylamino)azepan-1-yl]acetate
CID 56630789
tert-butyl 2-[2-oxo-3-(phenylmethoxycarbonylamino)azepan-1-yl]acetate
CID 22946050
methyl 2-[3-(aminomethyl)-2-oxopiperidin-1-yl]acetate
CID 155973543
methyl 2-[2-(benzylamino)piperidin-1-yl]acetate
CID 67707664
benzyl N-(4-aminocyclohexyl)-N-methylcarbamate
CID 91599052
benzyl N-(3-aminocyclohexyl)-N-methylcarbamate
CID 138114146
1-O-benzyl 3-O-methyl 2-oxopiperidine-1,3-dicarboxylate
CID 54081936

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3S)-3-[methyl(phenylmethoxycarbonyl)amino]-2-oxopiperidin-1-yl]acetate?
The IUPAC name of methyl 2-[(3S)-3-[methyl(phenylmethoxycarbonyl)amino]-2-oxopiperidin-1-yl]acetate (CID 59056687) is methyl 2-[(3S)-3-[methyl(phenylmethoxycarbonyl)amino]-2-oxopiperidin-1-yl]acetate.
What is the SMILES notation for methyl 2-[(3S)-3-[methyl(phenylmethoxycarbonyl)amino]-2-oxopiperidin-1-yl]acetate?
The canonical SMILES for methyl 2-[(3S)-3-[methyl(phenylmethoxycarbonyl)amino]-2-oxopiperidin-1-yl]acetate is COC(=O)CN1CCC[C@H](N(C)C(=O)OCc2ccccc2)C1=O.
What is the InChIKey of methyl 2-[(3S)-3-[methyl(phenylmethoxycarbonyl)amino]-2-oxopiperidin-1-yl]acetate?
The InChIKey is SEQKAWUGZIXVED-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H22N2O5/c1-18(17(22)24-12-13-7-4-3-5-8-13)14-9-6-10-19(16(14)21)11-15(20)23-2/h3-5,7-8,14H,6,9-12H2,1-2H3/t14-/m0/s1.
What are the key properties of methyl 2-[(3S)-3-[methyl(phenylmethoxycarbonyl)amino]-2-oxopiperidin-1-yl]acetate?
methyl 2-[(3S)-3-[methyl(phenylmethoxycarbonyl)amino]-2-oxopiperidin-1-yl]acetate has a molecular weight of 334.37 g/mol, XLogP of 1.42, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3S)-3-[methyl(phenylmethoxycarbonyl)amino]-2-oxopiperidin-1-yl]acetate is sourced from PubChem (CID 59056687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).