(3R)-3-amino-1-(3-phenylpropyl)pyrrolidin-2-one

C13H18N2O — CID 94237309

IUPAC(3R)-3-amino-1-(3-phenylpropyl)pyrrolidin-2-one
SMILESN[C@@H]1CCN(CCCc2ccccc2)C1=O
InChIInChI=1S/C13H18N2O/c14-12-8-10-15(13(12)16)9-4-7-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10,14H2/t12-/m1/s1
InChIKeyWUCWBIFFYUCGFK-GFCCVEGCSA-N
MW218.30 g/mol
LogP1.18
Rot. Bonds4

About (3R)-3-amino-1-(3-phenylpropyl)pyrrolidin-2-one

(3R)-3-amino-1-(3-phenylpropyl)pyrrolidin-2-one (PubChem CID 94237309) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is (3R)-3-amino-1-(3-phenylpropyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-3-amino-1-(3-phenylpropyl)pyrrolidin-2-one
PubChem CID94237309
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name(3R)-3-amino-1-(3-phenylpropyl)pyrrolidin-2-one
SMILESN[C@@H]1CCN(CCCc2ccccc2)C1=O
InChIInChI=1S/C13H18N2O/c14-12-8-10-15(13(12)16)9-4-7-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10,14H2/t12-/m1/s1
InChIKeyWUCWBIFFYUCGFK-GFCCVEGCSA-N
XLogP1.18
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-amino-1-(2-phenylethyl)pyrrolidin-2-one
CID 11096743
(3R)-3-amino-1-benzylpyrrolidin-2-one
CID 11128028
3-amino-1-benzylpyrrolidin-2-one
CID 47002372
1-(4-phenylbutyl)-3,4-dihydro-2H-quinolin-4-amine
CID 114332852
3-benzyl-1-(2-phenylethyl)pyrrolidin-2-one
CID 59741125
3-amino-1-[2-(2-methylphenyl)ethyl]pyrrolidin-2-one
CID 79749381
3-amino-1-(4-methylpentyl)pyrrolidin-2-one
CID 63004038
3-amino-1-(3-phenylmethoxypropyl)azetidin-2-one
CID 130948949
3-[(6-methyl-2-pyridinyl)amino]-1-(3-phenylpropyl)pyrrolidin-2-one
CID 133483895
1-(3-phenylpropyl)pyrrolidin-2-one;dihydrochloride
CID 142636287
3-amino-1-(2-phenylpropyl)pyrrolidin-2-one
CID 104591592
3-amino-1-(1-phenylpropan-2-yl)pyrrolidin-2-one
CID 63012641

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-1-(3-phenylpropyl)pyrrolidin-2-one?
The IUPAC name of (3R)-3-amino-1-(3-phenylpropyl)pyrrolidin-2-one (CID 94237309) is (3R)-3-amino-1-(3-phenylpropyl)pyrrolidin-2-one.
What is the SMILES notation for (3R)-3-amino-1-(3-phenylpropyl)pyrrolidin-2-one?
The canonical SMILES for (3R)-3-amino-1-(3-phenylpropyl)pyrrolidin-2-one is N[C@@H]1CCN(CCCc2ccccc2)C1=O.
What is the InChIKey of (3R)-3-amino-1-(3-phenylpropyl)pyrrolidin-2-one?
The InChIKey is WUCWBIFFYUCGFK-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H18N2O/c14-12-8-10-15(13(12)16)9-4-7-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10,14H2/t12-/m1/s1.
What are the key properties of (3R)-3-amino-1-(3-phenylpropyl)pyrrolidin-2-one?
(3R)-3-amino-1-(3-phenylpropyl)pyrrolidin-2-one has a molecular weight of 218.30 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-1-(3-phenylpropyl)pyrrolidin-2-one is sourced from PubChem (CID 94237309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).