methyl 4-methyl-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyrrolidin-1-yl]pentanoate

C16H28N2O5 — CID 611542

IUPACmethyl 4-methyl-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyrrolidin-1-yl]pentanoate
SMILESCOC(=O)C(CC(C)C)N1CCC(NC(=O)OC(C)(C)C)C1=O
InChIInChI=1S/C16H28N2O5/c1-10(2)9-12(14(20)22-6)18-8-7-11(13(18)19)17-15(21)23-16(3,4)5/h10-12H,7-9H2,1-6H3,(H,17,21)
InChIKeyPCRVXJSRDQCFCN-UHFFFAOYSA-N
MW328.41 g/mol
LogP1.70
Rot. Bonds5

About methyl 4-methyl-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyrrolidin-1-yl]pentanoate

methyl 4-methyl-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyrrolidin-1-yl]pentanoate (PubChem CID 611542) has the molecular formula C16H28N2O5 and a molecular weight of 328.41 g/mol. Its IUPAC name is methyl 4-methyl-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyrrolidin-1-yl]pentanoate.

Molecular Properties

Compound Namemethyl 4-methyl-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyrrolidin-1-yl]pentanoate
PubChem CID611542
Molecular FormulaC16H28N2O5
Molecular Weight328.41 g/mol
Exact Mass328.20
IUPAC Namemethyl 4-methyl-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyrrolidin-1-yl]pentanoate
SMILESCOC(=O)C(CC(C)C)N1CCC(NC(=O)OC(C)(C)C)C1=O
InChIInChI=1S/C16H28N2O5/c1-10(2)9-12(14(20)22-6)18-8-7-11(13(18)19)17-15(21)23-16(3,4)5/h10-12H,7-9H2,1-6H3,(H,17,21)
InChIKeyPCRVXJSRDQCFCN-UHFFFAOYSA-N
XLogP1.70
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-methyl-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyrrolidin-1-yl]pentanoate with MolForge

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Related Compounds

tert-butyl N-[(3S)-1-[(2S)-1-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]-2-oxoazonan-3-yl]carbamate
CID 15603017
tert-butyl N-[(3R)-1-[(2S)-1-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]-2-oxoazonan-3-yl]carbamate
CID 24969961
tert-butyl N-[(3S)-1-amino-2-oxopyrrolidin-3-yl]carbamate
CID 45092234
tert-butyl N-(1-methyl-2-oxopyrrolidin-3-yl)carbamate
CID 68911736
tert-butyl N-[(3S)-1-[(2S)-3-ethoxy-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]carbamate
CID 67554666
tert-butyl N-[(3S)-1-[(2S,3R)-3-methoxy-1-morpholin-4-yl-1-oxobutan-2-yl]-2-oxopyrrolidin-3-yl]carbamate
CID 86606748
(2S)-3-methoxy-2-[(3S)-3-(methoxycarbonylamino)-2-oxopyrrolidin-1-yl]propanoic acid
CID 58677319
tert-butyl N-[1-(2-methylpropyl)-2-oxoazepan-3-yl]carbamate
CID 77474999
(2R)-2-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxoazepan-1-yl]propanoic acid
CID 50998131
(2S)-2-[(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-oxopyrrolidin-1-yl]-4-methylpentanoic acid
CID 45024429
tert-butyl N-[1-(2-hydroxyethyl)-2-oxopyrrolidin-3-yl]carbamate
CID 72533232
tert-butyl (3R)-1-[(2S)-1-methoxy-4-methyl-1-oxopentan-2-yl]-2,5-dioxopyrrolidine-3-carboxylate
CID 101032549

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyrrolidin-1-yl]pentanoate?
The IUPAC name of methyl 4-methyl-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyrrolidin-1-yl]pentanoate (CID 611542) is methyl 4-methyl-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyrrolidin-1-yl]pentanoate.
What is the SMILES notation for methyl 4-methyl-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyrrolidin-1-yl]pentanoate?
The canonical SMILES for methyl 4-methyl-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyrrolidin-1-yl]pentanoate is COC(=O)C(CC(C)C)N1CCC(NC(=O)OC(C)(C)C)C1=O.
What is the InChIKey of methyl 4-methyl-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyrrolidin-1-yl]pentanoate?
The InChIKey is PCRVXJSRDQCFCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O5/c1-10(2)9-12(14(20)22-6)18-8-7-11(13(18)19)17-15(21)23-16(3,4)5/h10-12H,7-9H2,1-6H3,(H,17,21).
What are the key properties of methyl 4-methyl-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyrrolidin-1-yl]pentanoate?
methyl 4-methyl-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyrrolidin-1-yl]pentanoate has a molecular weight of 328.41 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyrrolidin-1-yl]pentanoate is sourced from PubChem (CID 611542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).