[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] (2S)-oxolane-2-carboxylate

C19H21NO4 — CID 8808173

IUPAC[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] (2S)-oxolane-2-carboxylate
SMILESC[C@H](NC(=O)COC(=O)[C@@H]1CCCO1)c1cccc2ccccc12
InChIInChI=1S/C19H21NO4/c1-13(15-9-4-7-14-6-2-3-8-16(14)15)20-18(21)12-24-19(22)17-10-5-11-23-17/h2-4,6-9,13,17H,5,10-12H2,1H3,(H,20,21)/t13-,17-/m0/s1
InChIKeyPKYYFUAGDBNCKS-GUYCJALGSA-N
MW327.38 g/mol
LogP2.74
Rot. Bonds5

About [2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] (2S)-oxolane-2-carboxylate

[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] (2S)-oxolane-2-carboxylate (PubChem CID 8808173) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is [2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] (2S)-oxolane-2-carboxylate.

Molecular Properties

Compound Name[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] (2S)-oxolane-2-carboxylate
PubChem CID8808173
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] (2S)-oxolane-2-carboxylate
SMILESC[C@H](NC(=O)COC(=O)[C@@H]1CCCO1)c1cccc2ccccc12
InChIInChI=1S/C19H21NO4/c1-13(15-9-4-7-14-6-2-3-8-16(14)15)20-18(21)12-24-19(22)17-10-5-11-23-17/h2-4,6-9,13,17H,5,10-12H2,1H3,(H,20,21)/t13-,17-/m0/s1
InChIKeyPKYYFUAGDBNCKS-GUYCJALGSA-N
XLogP2.74
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] (2S)-oxolane-2-carboxylate with MolForge

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Related Compounds

[2-oxo-2-[[(1R)-1-(4-sulfamoylphenyl)ethyl]amino]ethyl] (2S)-oxolane-2-carboxylate
CID 8808144
[2-[[(1R)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 9491198
[2-[[(1R)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] 4-(dimethylamino)benzoate
CID 9228968
2-(cyclopropylmethylamino)-N-(1-naphthalen-1-ylethyl)acetamide;hydrochloride
CID 119687005
[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] 2-phenoxyacetate
CID 9018310
N-(1-naphthalen-1-ylethyl)propanamide
CID 13202765
[2-(1-naphthalen-1-ylethylamino)-2-oxoethyl] 3-chlorobenzoate
CID 55397519
[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] 2-(4-acetylphenoxy)acetate
CID 8806359
[2-(1-naphthalen-1-ylethylamino)-2-oxoethyl] 2,4,5-trimethylfuran-3-carboxylate
CID 46641426
[2-[[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]-2-oxoethyl] (2R)-oxolane-2-carboxylate
CID 8808245
[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] 2-methylsulfanylbenzoate
CID 8841226
N-[(1S)-1-naphthalen-1-ylethyl]morpholine-2-carboxamide
CID 146426620

Frequently Asked Questions

What is the IUPAC name of [2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] (2S)-oxolane-2-carboxylate?
The IUPAC name of [2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] (2S)-oxolane-2-carboxylate (CID 8808173) is [2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] (2S)-oxolane-2-carboxylate.
What is the SMILES notation for [2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] (2S)-oxolane-2-carboxylate?
The canonical SMILES for [2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] (2S)-oxolane-2-carboxylate is C[C@H](NC(=O)COC(=O)[C@@H]1CCCO1)c1cccc2ccccc12.
What is the InChIKey of [2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] (2S)-oxolane-2-carboxylate?
The InChIKey is PKYYFUAGDBNCKS-GUYCJALGSA-N. The full InChI is InChI=1S/C19H21NO4/c1-13(15-9-4-7-14-6-2-3-8-16(14)15)20-18(21)12-24-19(22)17-10-5-11-23-17/h2-4,6-9,13,17H,5,10-12H2,1H3,(H,20,21)/t13-,17-/m0/s1.
What are the key properties of [2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] (2S)-oxolane-2-carboxylate?
[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] (2S)-oxolane-2-carboxylate has a molecular weight of 327.38 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] (2S)-oxolane-2-carboxylate is sourced from PubChem (CID 8808173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).