2-(3,4-dihydroxypyrrolidin-1-yl)-N-(2-methylpropyl)propanamide

C11H22N2O3 — CID 106672398

IUPAC2-(3,4-dihydroxypyrrolidin-1-yl)-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)N1CC(O)C(O)C1
InChIInChI=1S/C11H22N2O3/c1-7(2)4-12-11(16)8(3)13-5-9(14)10(15)6-13/h7-10,14-15H,4-6H2,1-3H3,(H,12,16)
InChIKeyFATGFRIUNBIEKE-UHFFFAOYSA-N
MW230.31 g/mol
LogP-0.82
Rot. Bonds4

About 2-(3,4-dihydroxypyrrolidin-1-yl)-N-(2-methylpropyl)propanamide

2-(3,4-dihydroxypyrrolidin-1-yl)-N-(2-methylpropyl)propanamide (PubChem CID 106672398) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-(3,4-dihydroxypyrrolidin-1-yl)-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name2-(3,4-dihydroxypyrrolidin-1-yl)-N-(2-methylpropyl)propanamide
PubChem CID106672398
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name2-(3,4-dihydroxypyrrolidin-1-yl)-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)N1CC(O)C(O)C1
InChIInChI=1S/C11H22N2O3/c1-7(2)4-12-11(16)8(3)13-5-9(14)10(15)6-13/h7-10,14-15H,4-6H2,1-3H3,(H,12,16)
InChIKeyFATGFRIUNBIEKE-UHFFFAOYSA-N
XLogP-0.82
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 5-0.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(methylamino)piperidin-1-yl]-N-(2-methylpropyl)propanamide
CID 60820142
2-(3-methylpiperazin-1-yl)-N-(2-methylpropyl)propanamide;hydrochloride
CID 119924545
2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-N-(2-methylpropyl)propanamide
CID 102682398
2-(3-methyl-4-oxopiperidin-1-yl)-N-(2-methylpropyl)propanamide
CID 114500457
(2R)-2-[3-(2-fluorophenoxy)azetidin-1-yl]-N-(2-methylpropyl)propanamide
CID 125169498
2-(4-amino-3-ethylpiperidin-1-yl)-N-(2-methylpropyl)propanamide
CID 81460274
2-[3-methyl-4-(methylamino)piperidin-1-yl]-N-(2-methylpropyl)propanamide
CID 114499044
N-cyclopentyl-2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]propanamide
CID 79411085
(2S)-N-(2-methylpropyl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)propanamide
CID 94411156
2-(2-cyanomorpholin-4-yl)-N-(2-methylpropyl)propanamide
CID 78946325
2-(3-aminoazetidin-1-yl)-N-(3-methylbutyl)propanamide
CID 63761130
(2S)-2-(4-benzhydrylpiperazin-1-yl)-N-(2-methylpropyl)propanamide
CID 9275099

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydroxypyrrolidin-1-yl)-N-(2-methylpropyl)propanamide?
The IUPAC name of 2-(3,4-dihydroxypyrrolidin-1-yl)-N-(2-methylpropyl)propanamide (CID 106672398) is 2-(3,4-dihydroxypyrrolidin-1-yl)-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 2-(3,4-dihydroxypyrrolidin-1-yl)-N-(2-methylpropyl)propanamide?
The canonical SMILES for 2-(3,4-dihydroxypyrrolidin-1-yl)-N-(2-methylpropyl)propanamide is CC(C)CNC(=O)C(C)N1CC(O)C(O)C1.
What is the InChIKey of 2-(3,4-dihydroxypyrrolidin-1-yl)-N-(2-methylpropyl)propanamide?
The InChIKey is FATGFRIUNBIEKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-7(2)4-12-11(16)8(3)13-5-9(14)10(15)6-13/h7-10,14-15H,4-6H2,1-3H3,(H,12,16).
What are the key properties of 2-(3,4-dihydroxypyrrolidin-1-yl)-N-(2-methylpropyl)propanamide?
2-(3,4-dihydroxypyrrolidin-1-yl)-N-(2-methylpropyl)propanamide has a molecular weight of 230.31 g/mol, XLogP of -0.82, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydroxypyrrolidin-1-yl)-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 106672398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).