methyl 2-[(3R)-2-oxo-3-(phenylmethoxycarbonylamino)piperidin-1-yl]acetate

C16H20N2O5 — CID 71228630

IUPACmethyl 2-[(3R)-2-oxo-3-(phenylmethoxycarbonylamino)piperidin-1-yl]acetate
SMILESCOC(=O)CN1CCC[C@@H](NC(=O)OCc2ccccc2)C1=O
InChIInChI=1S/C16H20N2O5/c1-22-14(19)10-18-9-5-8-13(15(18)20)17-16(21)23-11-12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11H2,1H3,(H,17,21)/t13-/m1/s1
InChIKeyAMZGSSMNBUBBDV-CYBMUJFWSA-N
MW320.34 g/mol
LogP1.08
Rot. Bonds5

About methyl 2-[(3R)-2-oxo-3-(phenylmethoxycarbonylamino)piperidin-1-yl]acetate

methyl 2-[(3R)-2-oxo-3-(phenylmethoxycarbonylamino)piperidin-1-yl]acetate (PubChem CID 71228630) has the molecular formula C16H20N2O5 and a molecular weight of 320.34 g/mol. Its IUPAC name is methyl 2-[(3R)-2-oxo-3-(phenylmethoxycarbonylamino)piperidin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(3R)-2-oxo-3-(phenylmethoxycarbonylamino)piperidin-1-yl]acetate
PubChem CID71228630
Molecular FormulaC16H20N2O5
Molecular Weight320.34 g/mol
Exact Mass320.14
IUPAC Namemethyl 2-[(3R)-2-oxo-3-(phenylmethoxycarbonylamino)piperidin-1-yl]acetate
SMILESCOC(=O)CN1CCC[C@@H](NC(=O)OCc2ccccc2)C1=O
InChIInChI=1S/C16H20N2O5/c1-22-14(19)10-18-9-5-8-13(15(18)20)17-16(21)23-11-12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11H2,1H3,(H,17,21)/t13-/m1/s1
InChIKeyAMZGSSMNBUBBDV-CYBMUJFWSA-N
XLogP1.08
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
benzyl N-(1-methyl-2-oxopiperidin-3-yl)carbamate
CID 58782089
2-[(3R)-3-[(4-methylphenyl)methoxycarbonylamino]-2-oxopiperidin-1-yl]acetic acid
CID 142159179
methyl 2-[(3S)-3-[methyl(phenylmethoxycarbonyl)amino]-2-oxopiperidin-1-yl]acetate
CID 59056687
benzyl N-[(3R)-1-[2-[(2S)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-oxopiperidin-3-yl]carbamate
CID 71228540
ethyl 2-[(3S)-2-oxo-3-(phenylmethoxycarbonylamino)azepan-1-yl]oxyacetate
CID 101191342
2-[2-oxo-3-(phenylmethoxycarbonylamino)azetidin-1-yl]acetic acid
CID 23213435
benzyl N-[(3S)-1-(4-iodophenyl)-2-oxopiperidin-3-yl]carbamate
CID 58778178
benzyl N-[(3S)-1-[2-[2-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]oxyethylamino]-2-oxoethyl]-2-oxopiperidin-3-yl]carbamate
CID 149433891
2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-oxopiperidin-1-yl]acetic acid
CID 4712604
benzyl N-[(1S)-2-oxocyclohexyl]carbamate
CID 14219049

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3R)-2-oxo-3-(phenylmethoxycarbonylamino)piperidin-1-yl]acetate?
The IUPAC name of methyl 2-[(3R)-2-oxo-3-(phenylmethoxycarbonylamino)piperidin-1-yl]acetate (CID 71228630) is methyl 2-[(3R)-2-oxo-3-(phenylmethoxycarbonylamino)piperidin-1-yl]acetate.
What is the SMILES notation for methyl 2-[(3R)-2-oxo-3-(phenylmethoxycarbonylamino)piperidin-1-yl]acetate?
The canonical SMILES for methyl 2-[(3R)-2-oxo-3-(phenylmethoxycarbonylamino)piperidin-1-yl]acetate is COC(=O)CN1CCC[C@@H](NC(=O)OCc2ccccc2)C1=O.
What is the InChIKey of methyl 2-[(3R)-2-oxo-3-(phenylmethoxycarbonylamino)piperidin-1-yl]acetate?
The InChIKey is AMZGSSMNBUBBDV-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H20N2O5/c1-22-14(19)10-18-9-5-8-13(15(18)20)17-16(21)23-11-12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11H2,1H3,(H,17,21)/t13-/m1/s1.
What are the key properties of methyl 2-[(3R)-2-oxo-3-(phenylmethoxycarbonylamino)piperidin-1-yl]acetate?
methyl 2-[(3R)-2-oxo-3-(phenylmethoxycarbonylamino)piperidin-1-yl]acetate has a molecular weight of 320.34 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3R)-2-oxo-3-(phenylmethoxycarbonylamino)piperidin-1-yl]acetate is sourced from PubChem (CID 71228630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).