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

C14H22N2O4 — CID 60698316

IUPACmethyl 2-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]propanoate
SMILESCOC(=O)C(C)NC(=O)C1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C14H22N2O4/c1-9(14(19)20-2)15-13(18)10-7-12(17)16(8-10)11-5-3-4-6-11/h9-11H,3-8H2,1-2H3,(H,15,18)
InChIKeyYUAIHCYTNODAMC-UHFFFAOYSA-N
MW282.34 g/mol
LogP0.46
Rot. Bonds4

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

methyl 2-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]propanoate (PubChem CID 60698316) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is methyl 2-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]propanoate
PubChem CID60698316
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Namemethyl 2-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]propanoate
SMILESCOC(=O)C(C)NC(=O)C1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C14H22N2O4/c1-9(14(19)20-2)15-13(18)10-7-12(17)16(8-10)11-5-3-4-6-11/h9-11H,3-8H2,1-2H3,(H,15,18)
InChIKeyYUAIHCYTNODAMC-UHFFFAOYSA-N
XLogP0.46
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-3-methylpentanoate
CID 86977195
1-cyclopentyl-N-(dicyclopropylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 71943339
N-(1-amino-4-methylpentan-2-yl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119585859
1-cyclopentyl-N-cyclopentyloxy-5-oxopyrrolidine-3-carboxamide
CID 83207333
(3S)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 29451208
1-cyclopentyl-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 103799013
(3S)-1-cyclopentyl-N-ethyl-5-oxopyrrolidine-3-carboxamide
CID 9364638
(3R)-N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 124729471
1-cyclobutyl-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 110687444
(3S)-N,1-dicyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 6938538
1-cyclopentyl-N-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 47021846
(3R)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate
CID 6942092

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]propanoate?
The IUPAC name of methyl 2-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]propanoate (CID 60698316) is methyl 2-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]propanoate.
What is the SMILES notation for methyl 2-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]propanoate?
The canonical SMILES for methyl 2-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]propanoate is COC(=O)C(C)NC(=O)C1CC(=O)N(C2CCCC2)C1.
What is the InChIKey of methyl 2-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]propanoate?
The InChIKey is YUAIHCYTNODAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-9(14(19)20-2)15-13(18)10-7-12(17)16(8-10)11-5-3-4-6-11/h9-11H,3-8H2,1-2H3,(H,15,18).
What are the key properties of methyl 2-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]propanoate?
methyl 2-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]propanoate has a molecular weight of 282.34 g/mol, XLogP of 0.46, 4 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]propanoate is sourced from PubChem (CID 60698316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).