amino (2S)-2-(2-phenylethyl)oxolane-3-carboxylate

C13H17NO3 — CID 91512790

IUPACamino (2S)-2-(2-phenylethyl)oxolane-3-carboxylate
SMILESNOC(=O)C1CCO[C@H]1CCc1ccccc1
InChIInChI=1S/C13H17NO3/c14-17-13(15)11-8-9-16-12(11)7-6-10-4-2-1-3-5-10/h1-5,11-12H,6-9,14H2/t11?,12-/m0/s1
InChIKeyWEJSZGNLBPCYLK-KIYNQFGBSA-N
MW235.28 g/mol
LogP1.44
Rot. Bonds4

About amino (2S)-2-(2-phenylethyl)oxolane-3-carboxylate

amino (2S)-2-(2-phenylethyl)oxolane-3-carboxylate (PubChem CID 91512790) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is amino (2S)-2-(2-phenylethyl)oxolane-3-carboxylate.

Molecular Properties

Compound Nameamino (2S)-2-(2-phenylethyl)oxolane-3-carboxylate
PubChem CID91512790
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Nameamino (2S)-2-(2-phenylethyl)oxolane-3-carboxylate
SMILESNOC(=O)C1CCO[C@H]1CCc1ccccc1
InChIInChI=1S/C13H17NO3/c14-17-13(15)11-8-9-16-12(11)7-6-10-4-2-1-3-5-10/h1-5,11-12H,6-9,14H2/t11?,12-/m0/s1
InChIKeyWEJSZGNLBPCYLK-KIYNQFGBSA-N
XLogP1.44
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze amino (2S)-2-(2-phenylethyl)oxolane-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl (2R,3R)-3-(2-phenylethyl)oxirane-2-carboxylate
CID 138975697
2-(2-phenylethyl)oxetane
CID 13354102
N-[2-(2-phenylethyl)oxan-4-yl]acetamide
CID 102519747
(5R,6S)-5-acetyl-6-(2-phenylethyl)oxan-2-one
CID 101034778
1-[3-(2-phenylethyl)oxiran-2-yl]ethanone
CID 12794803
(2S,3R)-3-methoxy-2-(2-phenylethyl)oxetane
CID 71403895
2-phenylethyl oxane-2-carboxylate
CID 151584016
methyl 2-[(2S,3R,5R)-2,5-bis(2-phenylethyl)oxolan-3-yl]prop-2-enoate
CID 134940795
benzyl [2-(hydroxymethyl)oxolan-3-yl] carbonate
CID 66978598
ethyl (2S,5S)-6-oxo-5-(2-phenylethyl)oxane-2-carboxylate
CID 134831337
1-phenyl-2-[(2R,4R)-2-(2-phenylethyl)-1,3-dioxan-4-yl]ethanone
CID 122379036
2-(2-phenylpropyl)oxolane-3-carboxylic acid
CID 79368306

Frequently Asked Questions

What is the IUPAC name of amino (2S)-2-(2-phenylethyl)oxolane-3-carboxylate?
The IUPAC name of amino (2S)-2-(2-phenylethyl)oxolane-3-carboxylate (CID 91512790) is amino (2S)-2-(2-phenylethyl)oxolane-3-carboxylate.
What is the SMILES notation for amino (2S)-2-(2-phenylethyl)oxolane-3-carboxylate?
The canonical SMILES for amino (2S)-2-(2-phenylethyl)oxolane-3-carboxylate is NOC(=O)C1CCO[C@H]1CCc1ccccc1.
What is the InChIKey of amino (2S)-2-(2-phenylethyl)oxolane-3-carboxylate?
The InChIKey is WEJSZGNLBPCYLK-KIYNQFGBSA-N. The full InChI is InChI=1S/C13H17NO3/c14-17-13(15)11-8-9-16-12(11)7-6-10-4-2-1-3-5-10/h1-5,11-12H,6-9,14H2/t11?,12-/m0/s1.
What are the key properties of amino (2S)-2-(2-phenylethyl)oxolane-3-carboxylate?
amino (2S)-2-(2-phenylethyl)oxolane-3-carboxylate has a molecular weight of 235.28 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for amino (2S)-2-(2-phenylethyl)oxolane-3-carboxylate is sourced from PubChem (CID 91512790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).