benzyl (2S)-2-[(5-ethyl-2-oxooxolan-3-yl)amino]propanoate

C16H21NO4 — CID 14819249

IUPACbenzyl (2S)-2-[(5-ethyl-2-oxooxolan-3-yl)amino]propanoate
SMILESCCC1CC(N[C@@H](C)C(=O)OCc2ccccc2)C(=O)O1
InChIInChI=1S/C16H21NO4/c1-3-13-9-14(16(19)21-13)17-11(2)15(18)20-10-12-7-5-4-6-8-12/h4-8,11,13-14,17H,3,9-10H2,1-2H3/t11-,13?,14?/m0/s1
InChIKeyFCAJDRGMKZCWID-XGNXJENSSA-N
MW291.35 g/mol
LogP1.80
Rot. Bonds6

About benzyl (2S)-2-[(5-ethyl-2-oxooxolan-3-yl)amino]propanoate

benzyl (2S)-2-[(5-ethyl-2-oxooxolan-3-yl)amino]propanoate (PubChem CID 14819249) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is benzyl (2S)-2-[(5-ethyl-2-oxooxolan-3-yl)amino]propanoate.

Molecular Properties

Compound Namebenzyl (2S)-2-[(5-ethyl-2-oxooxolan-3-yl)amino]propanoate
PubChem CID14819249
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Namebenzyl (2S)-2-[(5-ethyl-2-oxooxolan-3-yl)amino]propanoate
SMILESCCC1CC(N[C@@H](C)C(=O)OCc2ccccc2)C(=O)O1
InChIInChI=1S/C16H21NO4/c1-3-13-9-14(16(19)21-13)17-11(2)15(18)20-10-12-7-5-4-6-8-12/h4-8,11,13-14,17H,3,9-10H2,1-2H3/t11-,13?,14?/m0/s1
InChIKeyFCAJDRGMKZCWID-XGNXJENSSA-N
XLogP1.80
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of benzyl (2S)-2-[(5-ethyl-2-oxooxolan-3-yl)amino]propanoate?
The IUPAC name of benzyl (2S)-2-[(5-ethyl-2-oxooxolan-3-yl)amino]propanoate (CID 14819249) is benzyl (2S)-2-[(5-ethyl-2-oxooxolan-3-yl)amino]propanoate.
What is the SMILES notation for benzyl (2S)-2-[(5-ethyl-2-oxooxolan-3-yl)amino]propanoate?
The canonical SMILES for benzyl (2S)-2-[(5-ethyl-2-oxooxolan-3-yl)amino]propanoate is CCC1CC(N[C@@H](C)C(=O)OCc2ccccc2)C(=O)O1.
What is the InChIKey of benzyl (2S)-2-[(5-ethyl-2-oxooxolan-3-yl)amino]propanoate?
The InChIKey is FCAJDRGMKZCWID-XGNXJENSSA-N. The full InChI is InChI=1S/C16H21NO4/c1-3-13-9-14(16(19)21-13)17-11(2)15(18)20-10-12-7-5-4-6-8-12/h4-8,11,13-14,17H,3,9-10H2,1-2H3/t11-,13?,14?/m0/s1.
What are the key properties of benzyl (2S)-2-[(5-ethyl-2-oxooxolan-3-yl)amino]propanoate?
benzyl (2S)-2-[(5-ethyl-2-oxooxolan-3-yl)amino]propanoate has a molecular weight of 291.35 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2S)-2-[(5-ethyl-2-oxooxolan-3-yl)amino]propanoate is sourced from PubChem (CID 14819249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).