[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate

C16H18N2O4 — CID 7834274

IUPAC[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate
SMILESN#CC1(NC(=O)COC(=O)[C@@H](O)c2ccccc2)CCCC1
InChIInChI=1S/C16H18N2O4/c17-11-16(8-4-5-9-16)18-13(19)10-22-15(21)14(20)12-6-2-1-3-7-12/h1-3,6-7,14,20H,4-5,8-10H2,(H,18,19)/t14-/m0/s1
InChIKeyJZSCXYBAICIWPB-AWEZNQCLSA-N
MW302.33 g/mol
LogP1.22
Rot. Bonds5

About [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate

[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate (PubChem CID 7834274) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate.

Molecular Properties

Compound Name[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate
PubChem CID7834274
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Name[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate
SMILESN#CC1(NC(=O)COC(=O)[C@@H](O)c2ccccc2)CCCC1
InChIInChI=1S/C16H18N2O4/c17-11-16(8-4-5-9-16)18-13(19)10-22-15(21)14(20)12-6-2-1-3-7-12/h1-3,6-7,14,20H,4-5,8-10H2,(H,18,19)/t14-/m0/s1
InChIKeyJZSCXYBAICIWPB-AWEZNQCLSA-N
XLogP1.22
TPSA99.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] (2R,3R)-3-methyl-2-phenylpentanoate
CID 7773143
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] (2S)-2-phenyl-2-phenylsulfanylacetate
CID 8821271
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] (2R)-2-phenyl-2-phenylsulfanylacetate
CID 8821272
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] (3R)-3-acetamido-3-phenylpropanoate
CID 7132991
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 3-phenylpropanoate
CID 7659084
2-(benzhydrylamino)-N-(1-cyanocyclopentyl)acetamide
CID 7516068
[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] (E)-3-phenylprop-2-enoate
CID 7857617
[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 2-benzoylbenzoate
CID 7865547
[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 2-bromobenzoate
CID 7476853
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-(2,6-dimethylphenoxy)acetate
CID 8528080
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] anthracene-9-carboxylate
CID 7786656
[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] naphthalene-1-carboxylate
CID 7377287

Frequently Asked Questions

What is the IUPAC name of [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate?
The IUPAC name of [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate (CID 7834274) is [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate.
What is the SMILES notation for [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate?
The canonical SMILES for [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate is N#CC1(NC(=O)COC(=O)[C@@H](O)c2ccccc2)CCCC1.
What is the InChIKey of [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate?
The InChIKey is JZSCXYBAICIWPB-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H18N2O4/c17-11-16(8-4-5-9-16)18-13(19)10-22-15(21)14(20)12-6-2-1-3-7-12/h1-3,6-7,14,20H,4-5,8-10H2,(H,18,19)/t14-/m0/s1.
What are the key properties of [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate?
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate has a molecular weight of 302.33 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate is sourced from PubChem (CID 7834274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).