methyl N-[(1S)-1-cyclopentyl-2-oxo-2-(2-propan-2-ylpyrrolidin-1-yl)ethyl]carbamate

C16H28N2O3 — CID 68575526

IUPACmethyl N-[(1S)-1-cyclopentyl-2-oxo-2-(2-propan-2-ylpyrrolidin-1-yl)ethyl]carbamate
SMILESCOC(=O)N[C@H](C(=O)N1CCCC1C(C)C)C1CCCC1
InChIInChI=1S/C16H28N2O3/c1-11(2)13-9-6-10-18(13)15(19)14(17-16(20)21-3)12-7-4-5-8-12/h11-14H,4-10H2,1-3H3,(H,17,20)/t13?,14-/m0/s1
InChIKeyHPJALLOGDVWYAX-KZUDCZAMSA-N
MW296.41 g/mol
LogP2.55
Rot. Bonds4

About methyl N-[(1S)-1-cyclopentyl-2-oxo-2-(2-propan-2-ylpyrrolidin-1-yl)ethyl]carbamate

methyl N-[(1S)-1-cyclopentyl-2-oxo-2-(2-propan-2-ylpyrrolidin-1-yl)ethyl]carbamate (PubChem CID 68575526) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is methyl N-[(1S)-1-cyclopentyl-2-oxo-2-(2-propan-2-ylpyrrolidin-1-yl)ethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[(1S)-1-cyclopentyl-2-oxo-2-(2-propan-2-ylpyrrolidin-1-yl)ethyl]carbamate
PubChem CID68575526
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Namemethyl N-[(1S)-1-cyclopentyl-2-oxo-2-(2-propan-2-ylpyrrolidin-1-yl)ethyl]carbamate
SMILESCOC(=O)N[C@H](C(=O)N1CCCC1C(C)C)C1CCCC1
InChIInChI=1S/C16H28N2O3/c1-11(2)13-9-6-10-18(13)15(19)14(17-16(20)21-3)12-7-4-5-8-12/h11-14H,4-10H2,1-3H3,(H,17,20)/t13?,14-/m0/s1
InChIKeyHPJALLOGDVWYAX-KZUDCZAMSA-N
XLogP2.55
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl N-[(1S)-1-cyclopentyl-2-oxo-2-(2-propan-2-ylpyrrolidin-1-yl)ethyl]carbamate?
The IUPAC name of methyl N-[(1S)-1-cyclopentyl-2-oxo-2-(2-propan-2-ylpyrrolidin-1-yl)ethyl]carbamate (CID 68575526) is methyl N-[(1S)-1-cyclopentyl-2-oxo-2-(2-propan-2-ylpyrrolidin-1-yl)ethyl]carbamate.
What is the SMILES notation for methyl N-[(1S)-1-cyclopentyl-2-oxo-2-(2-propan-2-ylpyrrolidin-1-yl)ethyl]carbamate?
The canonical SMILES for methyl N-[(1S)-1-cyclopentyl-2-oxo-2-(2-propan-2-ylpyrrolidin-1-yl)ethyl]carbamate is COC(=O)N[C@H](C(=O)N1CCCC1C(C)C)C1CCCC1.
What is the InChIKey of methyl N-[(1S)-1-cyclopentyl-2-oxo-2-(2-propan-2-ylpyrrolidin-1-yl)ethyl]carbamate?
The InChIKey is HPJALLOGDVWYAX-KZUDCZAMSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-11(2)13-9-6-10-18(13)15(19)14(17-16(20)21-3)12-7-4-5-8-12/h11-14H,4-10H2,1-3H3,(H,17,20)/t13?,14-/m0/s1.
What are the key properties of methyl N-[(1S)-1-cyclopentyl-2-oxo-2-(2-propan-2-ylpyrrolidin-1-yl)ethyl]carbamate?
methyl N-[(1S)-1-cyclopentyl-2-oxo-2-(2-propan-2-ylpyrrolidin-1-yl)ethyl]carbamate has a molecular weight of 296.41 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(1S)-1-cyclopentyl-2-oxo-2-(2-propan-2-ylpyrrolidin-1-yl)ethyl]carbamate is sourced from PubChem (CID 68575526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).