(4R)-1-(2-methoxyphenyl)-4-(pentan-3-ylamino)pyrrolidin-2-one

C16H24N2O2 — CID 95123830

IUPAC(4R)-1-(2-methoxyphenyl)-4-(pentan-3-ylamino)pyrrolidin-2-one
SMILESCCC(CC)N[C@@H]1CC(=O)N(c2ccccc2OC)C1
InChIInChI=1S/C16H24N2O2/c1-4-12(5-2)17-13-10-16(19)18(11-13)14-8-6-7-9-15(14)20-3/h6-9,12-13,17H,4-5,10-11H2,1-3H3/t13-/m1/s1
InChIKeyTZCAAPHZWBBSDP-CYBMUJFWSA-N
MW276.38 g/mol
LogP2.58
Rot. Bonds6

About (4R)-1-(2-methoxyphenyl)-4-(pentan-3-ylamino)pyrrolidin-2-one

(4R)-1-(2-methoxyphenyl)-4-(pentan-3-ylamino)pyrrolidin-2-one (PubChem CID 95123830) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is (4R)-1-(2-methoxyphenyl)-4-(pentan-3-ylamino)pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-1-(2-methoxyphenyl)-4-(pentan-3-ylamino)pyrrolidin-2-one
PubChem CID95123830
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name(4R)-1-(2-methoxyphenyl)-4-(pentan-3-ylamino)pyrrolidin-2-one
SMILESCCC(CC)N[C@@H]1CC(=O)N(c2ccccc2OC)C1
InChIInChI=1S/C16H24N2O2/c1-4-12(5-2)17-13-10-16(19)18(11-13)14-8-6-7-9-15(14)20-3/h6-9,12-13,17H,4-5,10-11H2,1-3H3/t13-/m1/s1
InChIKeyTZCAAPHZWBBSDP-CYBMUJFWSA-N
XLogP2.58
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (3R)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 94075916
1-(2-methoxyphenyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168670200
N-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1H-pyrazole-4-carboxamide
CID 99937887
2-(cyclopenten-1-yl)-N-[1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]acetamide
CID 119063709
(2S)-2-(2-fluorophenoxy)-N-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]propanamide
CID 51583799
1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 2941796
N-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 126446149
(3S)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl chloride
CID 94075915
N-[(3S)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-methylfuran-2-carboxamide
CID 95217188
N-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 95134783
N-[1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(2-methyl-6-oxo-1-pyridinyl)propanamide
CID 118762016
[2-(cyclopropylcarbamoylamino)-2-oxoethyl] (3R)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7543266

Frequently Asked Questions

What is the IUPAC name of (4R)-1-(2-methoxyphenyl)-4-(pentan-3-ylamino)pyrrolidin-2-one?
The IUPAC name of (4R)-1-(2-methoxyphenyl)-4-(pentan-3-ylamino)pyrrolidin-2-one (CID 95123830) is (4R)-1-(2-methoxyphenyl)-4-(pentan-3-ylamino)pyrrolidin-2-one.
What is the SMILES notation for (4R)-1-(2-methoxyphenyl)-4-(pentan-3-ylamino)pyrrolidin-2-one?
The canonical SMILES for (4R)-1-(2-methoxyphenyl)-4-(pentan-3-ylamino)pyrrolidin-2-one is CCC(CC)N[C@@H]1CC(=O)N(c2ccccc2OC)C1.
What is the InChIKey of (4R)-1-(2-methoxyphenyl)-4-(pentan-3-ylamino)pyrrolidin-2-one?
The InChIKey is TZCAAPHZWBBSDP-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-4-12(5-2)17-13-10-16(19)18(11-13)14-8-6-7-9-15(14)20-3/h6-9,12-13,17H,4-5,10-11H2,1-3H3/t13-/m1/s1.
What are the key properties of (4R)-1-(2-methoxyphenyl)-4-(pentan-3-ylamino)pyrrolidin-2-one?
(4R)-1-(2-methoxyphenyl)-4-(pentan-3-ylamino)pyrrolidin-2-one has a molecular weight of 276.38 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-(2-methoxyphenyl)-4-(pentan-3-ylamino)pyrrolidin-2-one is sourced from PubChem (CID 95123830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).