5-(1-amino-2-phenylethyl)-3-benzyloxolan-2-one

C19H21NO2 — CID 19006552

IUPAC5-(1-amino-2-phenylethyl)-3-benzyloxolan-2-one
SMILESNC(Cc1ccccc1)C1CC(Cc2ccccc2)C(=O)O1
InChIInChI=1S/C19H21NO2/c20-17(12-15-9-5-2-6-10-15)18-13-16(19(21)22-18)11-14-7-3-1-4-8-14/h1-10,16-18H,11-13,20H2
InChIKeyQDVMBHPJTGUOEX-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.73
Rot. Bonds5

About 5-(1-amino-2-phenylethyl)-3-benzyloxolan-2-one

5-(1-amino-2-phenylethyl)-3-benzyloxolan-2-one (PubChem CID 19006552) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is 5-(1-amino-2-phenylethyl)-3-benzyloxolan-2-one.

Molecular Properties

Compound Name5-(1-amino-2-phenylethyl)-3-benzyloxolan-2-one
PubChem CID19006552
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name5-(1-amino-2-phenylethyl)-3-benzyloxolan-2-one
SMILESNC(Cc1ccccc1)C1CC(Cc2ccccc2)C(=O)O1
InChIInChI=1S/C19H21NO2/c20-17(12-15-9-5-2-6-10-15)18-13-16(19(21)22-18)11-14-7-3-1-4-8-14/h1-10,16-18H,11-13,20H2
InChIKeyQDVMBHPJTGUOEX-UHFFFAOYSA-N
XLogP2.73
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S,5S)-5-amino-4-hydroxy-6-phenylhexanoic acid
CID 11117672
cyclopentyl (2S)-2-amino-3-phenylpropanoate hydrochloride
CID 71756580
(4R,5S)-5-amino-4-hydroxy-6-phenylhexanoic acid
CID 44266832
(3R,5S)-5-(aminomethyl)-3-phenyloxolan-2-one;hydrochloride
CID 49796848
(3S,5S)-5-(aminomethyl)-3-phenyloxolan-2-one;hydrochloride
CID 49796851
propan-2-yl (2S)-2-amino-3-phenylpropanoate
CID 1551230
(2R,4S,5S)-5-amino-2-benzyl-4-hydroxy-6-phenylhexanoic acid
CID 22874191
(3S,5S,1'S)-3-benzyl-5-[1'-(tert-butoxycarbonylamino)--2'-phenylethyl]-4,5-dihydrofuran-2(3H)-one
CID 10000778
l-Phenylalanine menthyl ester
CID 13145502
Phenylalanine cyclohexyl ester
CID 53831742
Phenylalaninanhydrid
CID 54573768
tert-butyl N-[(1S)-1-[(2S,4R)-4-(2-methylpropyl)-5-oxooxolan-2-yl]-2-phenylethyl]carbamate
CID 67762757

Frequently Asked Questions

What is the IUPAC name of 5-(1-amino-2-phenylethyl)-3-benzyloxolan-2-one?
The IUPAC name of 5-(1-amino-2-phenylethyl)-3-benzyloxolan-2-one (CID 19006552) is 5-(1-amino-2-phenylethyl)-3-benzyloxolan-2-one.
What is the SMILES notation for 5-(1-amino-2-phenylethyl)-3-benzyloxolan-2-one?
The canonical SMILES for 5-(1-amino-2-phenylethyl)-3-benzyloxolan-2-one is NC(Cc1ccccc1)C1CC(Cc2ccccc2)C(=O)O1.
What is the InChIKey of 5-(1-amino-2-phenylethyl)-3-benzyloxolan-2-one?
The InChIKey is QDVMBHPJTGUOEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c20-17(12-15-9-5-2-6-10-15)18-13-16(19(21)22-18)11-14-7-3-1-4-8-14/h1-10,16-18H,11-13,20H2.
What are the key properties of 5-(1-amino-2-phenylethyl)-3-benzyloxolan-2-one?
5-(1-amino-2-phenylethyl)-3-benzyloxolan-2-one has a molecular weight of 295.38 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-amino-2-phenylethyl)-3-benzyloxolan-2-one is sourced from PubChem (CID 19006552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).