1-[(2S)-2-amino-3-methylbutanoyl]-3-(3-phenylpropanoyl)pyrrolidin-2-one

C18H24N2O3 — CID 148547675

IUPAC1-[(2S)-2-amino-3-methylbutanoyl]-3-(3-phenylpropanoyl)pyrrolidin-2-one
SMILESCC(C)[C@H](N)C(=O)N1CCC(C(=O)CCc2ccccc2)C1=O
InChIInChI=1S/C18H24N2O3/c1-12(2)16(19)18(23)20-11-10-14(17(20)22)15(21)9-8-13-6-4-3-5-7-13/h3-7,12,14,16H,8-11,19H2,1-2H3/t14?,16-/m0/s1
InChIKeyOLZWXHIACKKBKE-WMCAAGNKSA-N
MW316.40 g/mol
LogP1.55
Rot. Bonds6

About 1-[(2S)-2-amino-3-methylbutanoyl]-3-(3-phenylpropanoyl)pyrrolidin-2-one

1-[(2S)-2-amino-3-methylbutanoyl]-3-(3-phenylpropanoyl)pyrrolidin-2-one (PubChem CID 148547675) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 1-[(2S)-2-amino-3-methylbutanoyl]-3-(3-phenylpropanoyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(2S)-2-amino-3-methylbutanoyl]-3-(3-phenylpropanoyl)pyrrolidin-2-one
PubChem CID148547675
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name1-[(2S)-2-amino-3-methylbutanoyl]-3-(3-phenylpropanoyl)pyrrolidin-2-one
SMILESCC(C)[C@H](N)C(=O)N1CCC(C(=O)CCc2ccccc2)C1=O
InChIInChI=1S/C18H24N2O3/c1-12(2)16(19)18(23)20-11-10-14(17(20)22)15(21)9-8-13-6-4-3-5-7-13/h3-7,12,14,16H,8-11,19H2,1-2H3/t14?,16-/m0/s1
InChIKeyOLZWXHIACKKBKE-WMCAAGNKSA-N
XLogP1.55
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(4R)-4-amino-5-methyl-1-phenylhexan-3-one;hydrochloride
CID 54757376
(2S)-2-amino-1-[(2R,3S)-3-benzyl-2-methylpyrrolidin-1-yl]-3-methylbutan-1-one
CID 125134108
2-amino-1-(4-benzylpiperidin-1-yl)-3-methylbutan-1-one;hydrochloride
CID 119262390
3-(3-phenylpropanoyl)-7-oxa-3-azabicyclo[4.1.0]heptan-2-one
CID 46937357
(3S)-1-benzyl-3-(3-methylbutanoyl)pyrrolidin-2-one
CID 67492991
1-cyclopropyl-3-phenylpropan-1-one
CID 24725607
(3S)-2-oxo-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid
CID 172842635
3-phenyl-1-(4-propan-2-ylmorpholin-2-yl)propan-1-one
CID 79664689
(2S)-2-amino-1-[3-[benzyl(propan-2-yl)amino]pyrrolidin-1-yl]-3-methylbutan-1-one
CID 66567233
(2S)-2-amino-3-methyl-1-(4-phenylpiperidin-1-yl)butan-1-one
CID 61165041
(2S)-2-amino-1-[4-(2-phenylethoxy)piperidin-1-yl]propan-1-one
CID 119299189
(2R)-2-amino-3-methyl-1-(4-phenoxypiperidin-1-yl)butan-1-one
CID 79013212

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-amino-3-methylbutanoyl]-3-(3-phenylpropanoyl)pyrrolidin-2-one?
The IUPAC name of 1-[(2S)-2-amino-3-methylbutanoyl]-3-(3-phenylpropanoyl)pyrrolidin-2-one (CID 148547675) is 1-[(2S)-2-amino-3-methylbutanoyl]-3-(3-phenylpropanoyl)pyrrolidin-2-one.
What is the SMILES notation for 1-[(2S)-2-amino-3-methylbutanoyl]-3-(3-phenylpropanoyl)pyrrolidin-2-one?
The canonical SMILES for 1-[(2S)-2-amino-3-methylbutanoyl]-3-(3-phenylpropanoyl)pyrrolidin-2-one is CC(C)[C@H](N)C(=O)N1CCC(C(=O)CCc2ccccc2)C1=O.
What is the InChIKey of 1-[(2S)-2-amino-3-methylbutanoyl]-3-(3-phenylpropanoyl)pyrrolidin-2-one?
The InChIKey is OLZWXHIACKKBKE-WMCAAGNKSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-12(2)16(19)18(23)20-11-10-14(17(20)22)15(21)9-8-13-6-4-3-5-7-13/h3-7,12,14,16H,8-11,19H2,1-2H3/t14?,16-/m0/s1.
What are the key properties of 1-[(2S)-2-amino-3-methylbutanoyl]-3-(3-phenylpropanoyl)pyrrolidin-2-one?
1-[(2S)-2-amino-3-methylbutanoyl]-3-(3-phenylpropanoyl)pyrrolidin-2-one has a molecular weight of 316.40 g/mol, XLogP of 1.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-amino-3-methylbutanoyl]-3-(3-phenylpropanoyl)pyrrolidin-2-one is sourced from PubChem (CID 148547675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).