(3R,4S)-4-(2-phenylethyl)-3-propan-2-ylazetidin-2-one

C14H19NO — CID 15422959

IUPAC(3R,4S)-4-(2-phenylethyl)-3-propan-2-ylazetidin-2-one
SMILESCC(C)[C@H]1C(=O)N[C@H]1CCc1ccccc1
InChIInChI=1S/C14H19NO/c1-10(2)13-12(15-14(13)16)9-8-11-6-4-3-5-7-11/h3-7,10,12-13H,8-9H2,1-2H3,(H,15,16)/t12-,13+/m0/s1
InChIKeyRTKSSVKMJWPRSQ-QWHCGFSZSA-N
MW217.31 g/mol
LogP2.39
Rot. Bonds4

About (3R,4S)-4-(2-phenylethyl)-3-propan-2-ylazetidin-2-one

(3R,4S)-4-(2-phenylethyl)-3-propan-2-ylazetidin-2-one (PubChem CID 15422959) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is (3R,4S)-4-(2-phenylethyl)-3-propan-2-ylazetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-4-(2-phenylethyl)-3-propan-2-ylazetidin-2-one
PubChem CID15422959
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name(3R,4S)-4-(2-phenylethyl)-3-propan-2-ylazetidin-2-one
SMILESCC(C)[C@H]1C(=O)N[C@H]1CCc1ccccc1
InChIInChI=1S/C14H19NO/c1-10(2)13-12(15-14(13)16)9-8-11-6-4-3-5-7-11/h3-7,10,12-13H,8-9H2,1-2H3,(H,15,16)/t12-,13+/m0/s1
InChIKeyRTKSSVKMJWPRSQ-QWHCGFSZSA-N
XLogP2.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3R,4S)-3-methyl-4-(2-phenylethyl)azetidin-2-one
CID 10559556
4-methyl-6-(2-phenylethyl)-3-propan-2-ylpiperidin-2-one
CID 58652515
methyl 4-hydroxy-2-oxo-5-(2-phenylethyl)pyrrolidine-3-carboxylate
CID 70987709
(4R,6R)-5-hydroxy-4,6-bis(2-phenylethyl)-1,3-diazinan-2-one
CID 101209097
1-methyl-5-(2-phenylethyl)-1,3-diazinane-2,4,6-trione
CID 67491873
(3S,5R,6S)-3-benzyl-6-(2-methylpropyl)-5-propan-2-ylpiperazin-2-one
CID 102134638
(3S,4S)-3-benzyl-4-propylazetidin-2-one
CID 11820200
6-methyl-1-(1-phenylpropan-2-yl)-3-propan-2-ylpiperazine-2,5-dione
CID 64970537
(3S,6S)-6-benzyl-1-methyl-3-propan-2-yl-1,4-diazepane-2,5,7-trione
CID 139584922
3-(2-phenylethyl)piperidin-2-one
CID 10798202
4-[(E)-2-phenylethenyl]-3-propan-2-ylazetidin-2-one
CID 70066029
(3R,4S,5S)-5-(hydroxymethyl)-4-naphthalen-1-yl-3-propan-2-ylpyrrolidin-2-one
CID 15384775

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-(2-phenylethyl)-3-propan-2-ylazetidin-2-one?
The IUPAC name of (3R,4S)-4-(2-phenylethyl)-3-propan-2-ylazetidin-2-one (CID 15422959) is (3R,4S)-4-(2-phenylethyl)-3-propan-2-ylazetidin-2-one.
What is the SMILES notation for (3R,4S)-4-(2-phenylethyl)-3-propan-2-ylazetidin-2-one?
The canonical SMILES for (3R,4S)-4-(2-phenylethyl)-3-propan-2-ylazetidin-2-one is CC(C)[C@H]1C(=O)N[C@H]1CCc1ccccc1.
What is the InChIKey of (3R,4S)-4-(2-phenylethyl)-3-propan-2-ylazetidin-2-one?
The InChIKey is RTKSSVKMJWPRSQ-QWHCGFSZSA-N. The full InChI is InChI=1S/C14H19NO/c1-10(2)13-12(15-14(13)16)9-8-11-6-4-3-5-7-11/h3-7,10,12-13H,8-9H2,1-2H3,(H,15,16)/t12-,13+/m0/s1.
What are the key properties of (3R,4S)-4-(2-phenylethyl)-3-propan-2-ylazetidin-2-one?
(3R,4S)-4-(2-phenylethyl)-3-propan-2-ylazetidin-2-one has a molecular weight of 217.31 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-(2-phenylethyl)-3-propan-2-ylazetidin-2-one is sourced from PubChem (CID 15422959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).