(5S)-5-[(2-methylpropylamino)methyl]pyrrolidin-2-one

C9H18N2O — CID 139457807

IUPAC(5S)-5-[(2-methylpropylamino)methyl]pyrrolidin-2-one
SMILESCC(C)CNC[C@@H]1CCC(=O)N1
InChIInChI=1S/C9H18N2O/c1-7(2)5-10-6-8-3-4-9(12)11-8/h7-8,10H,3-6H2,1-2H3,(H,11,12)/t8-/m0/s1
InChIKeySXDQFLCQHWJOLZ-QMMMGPOBSA-N
MW170.26 g/mol
LogP0.51
Rot. Bonds4

About (5S)-5-[(2-methylpropylamino)methyl]pyrrolidin-2-one

(5S)-5-[(2-methylpropylamino)methyl]pyrrolidin-2-one (PubChem CID 139457807) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is (5S)-5-[(2-methylpropylamino)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-5-[(2-methylpropylamino)methyl]pyrrolidin-2-one
PubChem CID139457807
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name(5S)-5-[(2-methylpropylamino)methyl]pyrrolidin-2-one
SMILESCC(C)CNC[C@@H]1CCC(=O)N1
InChIInChI=1S/C9H18N2O/c1-7(2)5-10-6-8-3-4-9(12)11-8/h7-8,10H,3-6H2,1-2H3,(H,11,12)/t8-/m0/s1
InChIKeySXDQFLCQHWJOLZ-QMMMGPOBSA-N
XLogP0.51
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(2-cyclopropylpropylamino)methyl]pyrrolidin-2-one
CID 107529963
5-[(2-methylsulfinylpropylamino)methyl]pyrrolidin-2-one
CID 107530001
5-[(2,2-dicyclopropylethylamino)methyl]pyrrolidin-2-one
CID 107529578
(5S)-5-[(prop-2-ynylamino)methyl]pyrrolidin-2-one
CID 166066315
5-[[2-(dimethylamino)ethylamino]methyl]pyrrolidin-2-one
CID 60726501
5-[[(3,3-difluorocyclohexyl)methylamino]methyl]pyrrolidin-2-one
CID 114223835
3,3,3-trifluoro-2-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]propanenitrile
CID 103367314
5-[[(1-ethylpiperidin-4-yl)methylamino]methyl]pyrrolidin-2-one
CID 107529310
5-[(3-hydroxypentylamino)methyl]pyrrolidin-2-one
CID 107530049
2-methyl-N-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)propan-1-amine
CID 105473267
5-[(4-methylsulfanylbutan-2-ylamino)methyl]pyrrolidin-2-one
CID 107529971
5-[(hexylamino)methyl]pyrrolidin-2-one
CID 60727785

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(2-methylpropylamino)methyl]pyrrolidin-2-one?
The IUPAC name of (5S)-5-[(2-methylpropylamino)methyl]pyrrolidin-2-one (CID 139457807) is (5S)-5-[(2-methylpropylamino)methyl]pyrrolidin-2-one.
What is the SMILES notation for (5S)-5-[(2-methylpropylamino)methyl]pyrrolidin-2-one?
The canonical SMILES for (5S)-5-[(2-methylpropylamino)methyl]pyrrolidin-2-one is CC(C)CNC[C@@H]1CCC(=O)N1.
What is the InChIKey of (5S)-5-[(2-methylpropylamino)methyl]pyrrolidin-2-one?
The InChIKey is SXDQFLCQHWJOLZ-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H18N2O/c1-7(2)5-10-6-8-3-4-9(12)11-8/h7-8,10H,3-6H2,1-2H3,(H,11,12)/t8-/m0/s1.
What are the key properties of (5S)-5-[(2-methylpropylamino)methyl]pyrrolidin-2-one?
(5S)-5-[(2-methylpropylamino)methyl]pyrrolidin-2-one has a molecular weight of 170.26 g/mol, XLogP of 0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(2-methylpropylamino)methyl]pyrrolidin-2-one is sourced from PubChem (CID 139457807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).