methyl 2-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-3-methylpentanoate

C17H28N2O4 — CID 86977195

IUPACmethyl 2-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-3-methylpentanoate
SMILESCCC(C)C(NC(=O)C1CC(=O)N(C2CCCC2)C1)C(=O)OC
InChIInChI=1S/C17H28N2O4/c1-4-11(2)15(17(22)23-3)18-16(21)12-9-14(20)19(10-12)13-7-5-6-8-13/h11-13,15H,4-10H2,1-3H3,(H,18,21)
InChIKeyYMMGOURKMFUBGK-UHFFFAOYSA-N
MW324.42 g/mol
LogP1.48
Rot. Bonds6

About methyl 2-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-3-methylpentanoate

methyl 2-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-3-methylpentanoate (PubChem CID 86977195) has the molecular formula C17H28N2O4 and a molecular weight of 324.42 g/mol. Its IUPAC name is methyl 2-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-3-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-3-methylpentanoate
PubChem CID86977195
Molecular FormulaC17H28N2O4
Molecular Weight324.42 g/mol
Exact Mass324.20
IUPAC Namemethyl 2-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-3-methylpentanoate
SMILESCCC(C)C(NC(=O)C1CC(=O)N(C2CCCC2)C1)C(=O)OC
InChIInChI=1S/C17H28N2O4/c1-4-11(2)15(17(22)23-3)18-16(21)12-9-14(20)19(10-12)13-7-5-6-8-13/h11-13,15H,4-10H2,1-3H3,(H,18,21)
InChIKeyYMMGOURKMFUBGK-UHFFFAOYSA-N
XLogP1.48
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-3-methylpentanoate with MolForge

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Related Compounds

2-[(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)amino]-3-methylpentanoic acid
CID 43356547
methyl 2-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]propanoate
CID 60698316
N-(1-amino-4-methylpentan-2-yl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119585859
(3S)-1-cyclopentyl-N-ethyl-5-oxopyrrolidine-3-carboxamide
CID 9364638
1-cyclopentyl-N-(dicyclopropylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 71943339
2-[(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)amino]butanoic acid
CID 43469521
1-cyclopentyl-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 103799013
ethyl (3R)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate
CID 94077568
1-cyclobutyl-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 110687444
1-cyclopentyl-N-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 47021846
1-cyclopentyl-N-cyclopentyloxy-5-oxopyrrolidine-3-carboxamide
CID 83207333
(3S)-N-butyl-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 7030805

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-3-methylpentanoate?
The IUPAC name of methyl 2-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-3-methylpentanoate (CID 86977195) is methyl 2-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-3-methylpentanoate.
What is the SMILES notation for methyl 2-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-3-methylpentanoate?
The canonical SMILES for methyl 2-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-3-methylpentanoate is CCC(C)C(NC(=O)C1CC(=O)N(C2CCCC2)C1)C(=O)OC.
What is the InChIKey of methyl 2-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-3-methylpentanoate?
The InChIKey is YMMGOURKMFUBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O4/c1-4-11(2)15(17(22)23-3)18-16(21)12-9-14(20)19(10-12)13-7-5-6-8-13/h11-13,15H,4-10H2,1-3H3,(H,18,21).
What are the key properties of methyl 2-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-3-methylpentanoate?
methyl 2-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-3-methylpentanoate has a molecular weight of 324.42 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-3-methylpentanoate is sourced from PubChem (CID 86977195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).