methyl-[(2R)-1-oxo-1-(3-oxopyrrolidin-1-yl)-3-phenylpropan-2-yl]carbamic acid

C15H18N2O4 — CID 141011452

IUPACmethyl-[(2R)-1-oxo-1-(3-oxopyrrolidin-1-yl)-3-phenylpropan-2-yl]carbamic acid
SMILESCN(C(=O)O)[C@H](Cc1ccccc1)C(=O)N1CCC(=O)C1
InChIInChI=1S/C15H18N2O4/c1-16(15(20)21)13(9-11-5-3-2-4-6-11)14(19)17-8-7-12(18)10-17/h2-6,13H,7-10H2,1H3,(H,20,21)/t13-/m1/s1
InChIKeyBBUSMONZTYTZQA-CYBMUJFWSA-N
MW290.32 g/mol
LogP1.01
Rot. Bonds4

About methyl-[(2R)-1-oxo-1-(3-oxopyrrolidin-1-yl)-3-phenylpropan-2-yl]carbamic acid

methyl-[(2R)-1-oxo-1-(3-oxopyrrolidin-1-yl)-3-phenylpropan-2-yl]carbamic acid (PubChem CID 141011452) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is methyl-[(2R)-1-oxo-1-(3-oxopyrrolidin-1-yl)-3-phenylpropan-2-yl]carbamic acid.

Molecular Properties

Compound Namemethyl-[(2R)-1-oxo-1-(3-oxopyrrolidin-1-yl)-3-phenylpropan-2-yl]carbamic acid
PubChem CID141011452
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Namemethyl-[(2R)-1-oxo-1-(3-oxopyrrolidin-1-yl)-3-phenylpropan-2-yl]carbamic acid
SMILESCN(C(=O)O)[C@H](Cc1ccccc1)C(=O)N1CCC(=O)C1
InChIInChI=1S/C15H18N2O4/c1-16(15(20)21)13(9-11-5-3-2-4-6-11)14(19)17-8-7-12(18)10-17/h2-6,13H,7-10H2,1H3,(H,20,21)/t13-/m1/s1
InChIKeyBBUSMONZTYTZQA-CYBMUJFWSA-N
XLogP1.01
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[benzyl(methyl)amino]acetyl]piperidin-4-one
CID 60683935
[1-[methoxy(methyl)amino]-1-oxo-3-phenylpropan-2-yl]-methylcarbamic acid
CID 135349152
methyl-[(2R)-1-oxo-3-phenylpropan-2-yl]carbamic acid
CID 140983317
4-oxo-N-[(2S)-1-oxo-3-phenylpropan-2-yl]piperidine-1-carboxamide
CID 54363535
tert-butyl N-methyl-N-[1-oxo-1-(3-oxopyrazolidin-1-yl)-3-phenylpropan-2-yl]carbamate
CID 57146693
(2R)-2-[benzyl(methyl)amino]-3-phenylpropanoic acid
CID 825996
(2S)-2-amino-1-(5,8-difluoro-3,4-dihydro-1H-isoquinolin-2-yl)-3-phenylpropan-1-one
CID 75429802
N-[(2R)-1-oxo-1-(4-oxopiperidin-1-yl)-3-phenylpropan-2-yl]-2,2-diphenylacetamide
CID 41094026
2-[acetyl(benzyl)amino]-3-phenylpropanoic acid
CID 15325398
2-[carbonochloridoyl(methyl)amino]-3-phenylpropanoic acid
CID 154004166
1-[4-[(dimethylamino)methyl]piperidin-1-yl]-3-phenyl-2-sulfanylpropan-1-one
CID 107026032
4-(3-phenyl-2-sulfanylpropanoyl)-1,4-diazepan-2-one
CID 107031205

Frequently Asked Questions

What is the IUPAC name of methyl-[(2R)-1-oxo-1-(3-oxopyrrolidin-1-yl)-3-phenylpropan-2-yl]carbamic acid?
The IUPAC name of methyl-[(2R)-1-oxo-1-(3-oxopyrrolidin-1-yl)-3-phenylpropan-2-yl]carbamic acid (CID 141011452) is methyl-[(2R)-1-oxo-1-(3-oxopyrrolidin-1-yl)-3-phenylpropan-2-yl]carbamic acid.
What is the SMILES notation for methyl-[(2R)-1-oxo-1-(3-oxopyrrolidin-1-yl)-3-phenylpropan-2-yl]carbamic acid?
The canonical SMILES for methyl-[(2R)-1-oxo-1-(3-oxopyrrolidin-1-yl)-3-phenylpropan-2-yl]carbamic acid is CN(C(=O)O)[C@H](Cc1ccccc1)C(=O)N1CCC(=O)C1.
What is the InChIKey of methyl-[(2R)-1-oxo-1-(3-oxopyrrolidin-1-yl)-3-phenylpropan-2-yl]carbamic acid?
The InChIKey is BBUSMONZTYTZQA-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-16(15(20)21)13(9-11-5-3-2-4-6-11)14(19)17-8-7-12(18)10-17/h2-6,13H,7-10H2,1H3,(H,20,21)/t13-/m1/s1.
What are the key properties of methyl-[(2R)-1-oxo-1-(3-oxopyrrolidin-1-yl)-3-phenylpropan-2-yl]carbamic acid?
methyl-[(2R)-1-oxo-1-(3-oxopyrrolidin-1-yl)-3-phenylpropan-2-yl]carbamic acid has a molecular weight of 290.32 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[(2R)-1-oxo-1-(3-oxopyrrolidin-1-yl)-3-phenylpropan-2-yl]carbamic acid is sourced from PubChem (CID 141011452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).