benzyl (2S)-2-[(2-oxo-5-propyloxolan-3-yl)amino]propanoate

C17H23NO4 — CID 14819253

IUPACbenzyl (2S)-2-[(2-oxo-5-propyloxolan-3-yl)amino]propanoate
SMILESCCCC1CC(N[C@@H](C)C(=O)OCc2ccccc2)C(=O)O1
InChIInChI=1S/C17H23NO4/c1-3-7-14-10-15(17(20)22-14)18-12(2)16(19)21-11-13-8-5-4-6-9-13/h4-6,8-9,12,14-15,18H,3,7,10-11H2,1-2H3/t12-,14?,15?/m0/s1
InChIKeyLJINIPJBKYFFEY-GRTSSRMGSA-N
MW305.37 g/mol
LogP2.19
Rot. Bonds7

About benzyl (2S)-2-[(2-oxo-5-propyloxolan-3-yl)amino]propanoate

benzyl (2S)-2-[(2-oxo-5-propyloxolan-3-yl)amino]propanoate (PubChem CID 14819253) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is benzyl (2S)-2-[(2-oxo-5-propyloxolan-3-yl)amino]propanoate.

Molecular Properties

Compound Namebenzyl (2S)-2-[(2-oxo-5-propyloxolan-3-yl)amino]propanoate
PubChem CID14819253
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Namebenzyl (2S)-2-[(2-oxo-5-propyloxolan-3-yl)amino]propanoate
SMILESCCCC1CC(N[C@@H](C)C(=O)OCc2ccccc2)C(=O)O1
InChIInChI=1S/C17H23NO4/c1-3-7-14-10-15(17(20)22-14)18-12(2)16(19)21-11-13-8-5-4-6-9-13/h4-6,8-9,12,14-15,18H,3,7,10-11H2,1-2H3/t12-,14?,15?/m0/s1
InChIKeyLJINIPJBKYFFEY-GRTSSRMGSA-N
XLogP2.19
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of benzyl (2S)-2-[(2-oxo-5-propyloxolan-3-yl)amino]propanoate?
The IUPAC name of benzyl (2S)-2-[(2-oxo-5-propyloxolan-3-yl)amino]propanoate (CID 14819253) is benzyl (2S)-2-[(2-oxo-5-propyloxolan-3-yl)amino]propanoate.
What is the SMILES notation for benzyl (2S)-2-[(2-oxo-5-propyloxolan-3-yl)amino]propanoate?
The canonical SMILES for benzyl (2S)-2-[(2-oxo-5-propyloxolan-3-yl)amino]propanoate is CCCC1CC(N[C@@H](C)C(=O)OCc2ccccc2)C(=O)O1.
What is the InChIKey of benzyl (2S)-2-[(2-oxo-5-propyloxolan-3-yl)amino]propanoate?
The InChIKey is LJINIPJBKYFFEY-GRTSSRMGSA-N. The full InChI is InChI=1S/C17H23NO4/c1-3-7-14-10-15(17(20)22-14)18-12(2)16(19)21-11-13-8-5-4-6-9-13/h4-6,8-9,12,14-15,18H,3,7,10-11H2,1-2H3/t12-,14?,15?/m0/s1.
What are the key properties of benzyl (2S)-2-[(2-oxo-5-propyloxolan-3-yl)amino]propanoate?
benzyl (2S)-2-[(2-oxo-5-propyloxolan-3-yl)amino]propanoate has a molecular weight of 305.37 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2S)-2-[(2-oxo-5-propyloxolan-3-yl)amino]propanoate is sourced from PubChem (CID 14819253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).