ethyl 2-(2-oxocyclopentyl)-2-(phenylmethoxycarbonylamino)acetate

C17H21NO5 — CID 162397266

IUPACethyl 2-(2-oxocyclopentyl)-2-(phenylmethoxycarbonylamino)acetate
SMILESCCOC(=O)C(NC(=O)OCc1ccccc1)C1CCCC1=O
InChIInChI=1S/C17H21NO5/c1-2-22-16(20)15(13-9-6-10-14(13)19)18-17(21)23-11-12-7-4-3-5-8-12/h3-5,7-8,13,15H,2,6,9-11H2,1H3,(H,18,21)
InChIKeyRONZMGVVAYOVBV-UHFFFAOYSA-N
MW319.36 g/mol
LogP2.21
Rot. Bonds6

About ethyl 2-(2-oxocyclopentyl)-2-(phenylmethoxycarbonylamino)acetate

ethyl 2-(2-oxocyclopentyl)-2-(phenylmethoxycarbonylamino)acetate (PubChem CID 162397266) has the molecular formula C17H21NO5 and a molecular weight of 319.36 g/mol. Its IUPAC name is ethyl 2-(2-oxocyclopentyl)-2-(phenylmethoxycarbonylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(2-oxocyclopentyl)-2-(phenylmethoxycarbonylamino)acetate
PubChem CID162397266
Molecular FormulaC17H21NO5
Molecular Weight319.36 g/mol
Exact Mass319.14
IUPAC Nameethyl 2-(2-oxocyclopentyl)-2-(phenylmethoxycarbonylamino)acetate
SMILESCCOC(=O)C(NC(=O)OCc1ccccc1)C1CCCC1=O
InChIInChI=1S/C17H21NO5/c1-2-22-16(20)15(13-9-6-10-14(13)19)18-17(21)23-11-12-7-4-3-5-8-12/h3-5,7-8,13,15H,2,6,9-11H2,1H3,(H,18,21)
InChIKeyRONZMGVVAYOVBV-UHFFFAOYSA-N
XLogP2.21
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl (2S)-2-(phenylmethoxycarbonylamino)propanoate
CID 10538700
ethyl 3-cyclohexyl-3-oxo-2-(phenylmethoxycarbonylamino)propanoate
CID 102486430
cyclopentyl (2S)-2-(phenylmethoxycarbonylamino)propanoate
CID 171836039
ethyl 2-chloro-2-(phenylmethoxycarbonylamino)acetate
CID 14991414
2-(phenylmethoxycarbonylamino)-2-(1-phenylpiperidin-4-yl)acetic acid
CID 155209815
(2,5-dioxopyrrolidin-1-yl) (2R)-2-cyclohexyl-2-(phenylmethoxycarbonylamino)acetate
CID 154815014
ethyl 3-hydroxy-3-methyl-2-(phenylmethoxycarbonylamino)butanoate
CID 57331908
benzyl N-[1-(cyclopentylamino)-1-oxopropan-2-yl]carbamate
CID 42885017
benzyl (1S)-2-oxocyclohexane-1-carboxylate
CID 69403132
ethyl (2S)-2-hydroxy-2-[(2E)-2-phenylmethoxycarbonyliminocyclohexyl]acetate
CID 15974561
ethyl (2S)-2-hydroxy-2-[(2Z)-2-phenylmethoxycarbonyliminocyclohexyl]acetate
CID 11267606
ethyl N-[(R)-(2-fluorophenyl)-[(1R)-2-oxocyclooctyl]methyl]carbamate
CID 1481353

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-oxocyclopentyl)-2-(phenylmethoxycarbonylamino)acetate?
The IUPAC name of ethyl 2-(2-oxocyclopentyl)-2-(phenylmethoxycarbonylamino)acetate (CID 162397266) is ethyl 2-(2-oxocyclopentyl)-2-(phenylmethoxycarbonylamino)acetate.
What is the SMILES notation for ethyl 2-(2-oxocyclopentyl)-2-(phenylmethoxycarbonylamino)acetate?
The canonical SMILES for ethyl 2-(2-oxocyclopentyl)-2-(phenylmethoxycarbonylamino)acetate is CCOC(=O)C(NC(=O)OCc1ccccc1)C1CCCC1=O.
What is the InChIKey of ethyl 2-(2-oxocyclopentyl)-2-(phenylmethoxycarbonylamino)acetate?
The InChIKey is RONZMGVVAYOVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO5/c1-2-22-16(20)15(13-9-6-10-14(13)19)18-17(21)23-11-12-7-4-3-5-8-12/h3-5,7-8,13,15H,2,6,9-11H2,1H3,(H,18,21).
What are the key properties of ethyl 2-(2-oxocyclopentyl)-2-(phenylmethoxycarbonylamino)acetate?
ethyl 2-(2-oxocyclopentyl)-2-(phenylmethoxycarbonylamino)acetate has a molecular weight of 319.36 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-oxocyclopentyl)-2-(phenylmethoxycarbonylamino)acetate is sourced from PubChem (CID 162397266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).