methyl 2-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]-2-methylpropanoate

C17H22N2O4 — CID 43074328

IUPACmethyl 2-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NC(=O)C1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C17H22N2O4/c1-17(2,16(22)23-3)18-15(21)13-9-14(20)19(11-13)10-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H,18,21)
InChIKeyRXVVTWMMNDGRIJ-UHFFFAOYSA-N
MW318.37 g/mol
LogP1.10
Rot. Bonds5

About methyl 2-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]-2-methylpropanoate

methyl 2-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]-2-methylpropanoate (PubChem CID 43074328) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is methyl 2-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]-2-methylpropanoate
PubChem CID43074328
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Namemethyl 2-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NC(=O)C1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C17H22N2O4/c1-17(2,16(22)23-3)18-15(21)13-9-14(20)19(11-13)10-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H,18,21)
InChIKeyRXVVTWMMNDGRIJ-UHFFFAOYSA-N
XLogP1.10
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[(3R)-1-benzyl-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpropanoate
CID 51881440
methyl 2-[[(3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpropanoate
CID 94094042
4-[[(3S)-1-benzyl-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid
CID 124682956
methyl 2-[[(3R)-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpropanoate
CID 94094068
N-[3-(aminomethyl)pentan-3-yl]-1-benzyl-5-oxopyrrolidine-3-carboxamide
CID 119570033
N-(1-amino-2,4-dimethylpentan-2-yl)-1-benzyl-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119598604
1-benzyl-N-(2-tert-butylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17396518
methyl 2-[[(3S)-1-benzyl-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 41118744
N-benzyl-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 46109695
methyl 4-[[(3R)-1-benzyl-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 8018544
methyl 4-[[(3S)-1-benzyl-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 8018551
(3R)-1-benzyl-N-[(2R)-1-methoxybutan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 95632586

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]-2-methylpropanoate?
The IUPAC name of methyl 2-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]-2-methylpropanoate (CID 43074328) is methyl 2-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]-2-methylpropanoate?
The canonical SMILES for methyl 2-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]-2-methylpropanoate is COC(=O)C(C)(C)NC(=O)C1CC(=O)N(Cc2ccccc2)C1.
What is the InChIKey of methyl 2-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]-2-methylpropanoate?
The InChIKey is RXVVTWMMNDGRIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-17(2,16(22)23-3)18-15(21)13-9-14(20)19(11-13)10-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H,18,21).
What are the key properties of methyl 2-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]-2-methylpropanoate?
methyl 2-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]-2-methylpropanoate has a molecular weight of 318.37 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]-2-methylpropanoate is sourced from PubChem (CID 43074328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).