N-[2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]-N-methylacetamide

C12H23N3O3 — CID 66052971

IUPACN-[2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]-N-methylacetamide
SMILESCC(=O)N(C)CC(=O)N1CC(O)CC1CN(C)C
InChIInChI=1S/C12H23N3O3/c1-9(16)14(4)8-12(18)15-7-11(17)5-10(15)6-13(2)3/h10-11,17H,5-8H2,1-4H3
InChIKeyLHCRQEHXBSCLNR-UHFFFAOYSA-N
MW257.33 g/mol
LogP-1.01
Rot. Bonds4

About N-[2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]-N-methylacetamide

N-[2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]-N-methylacetamide (PubChem CID 66052971) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is N-[2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]-N-methylacetamide
PubChem CID66052971
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC NameN-[2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]-N-methylacetamide
SMILESCC(=O)N(C)CC(=O)N1CC(O)CC1CN(C)C
InChIInChI=1S/C12H23N3O3/c1-9(16)14(4)8-12(18)15-7-11(17)5-10(15)6-13(2)3/h10-11,17H,5-8H2,1-4H3
InChIKeyLHCRQEHXBSCLNR-UHFFFAOYSA-N
XLogP-1.01
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 5-1.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]butane-1,3-dione
CID 66057029
3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-3-oxopropanenitrile
CID 66054659
5-chloro-1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]pentan-1-one
CID 66056594
4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2,2-diethyl-4-oxobutanoic acid
CID 66056195
1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]pent-4-en-1-one
CID 66051985
7-amino-1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]heptan-1-one
CID 66055629
1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-phenylethanone
CID 66053160
2-amino-1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]propan-1-one
CID 66056619
2-chloro-1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]propan-1-one
CID 66056203
N-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-N-methylacetamide
CID 63105671
cyclohexyl-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methanone
CID 66052753
(2R,4R)-1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 79026709

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]-N-methylacetamide?
The IUPAC name of N-[2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]-N-methylacetamide (CID 66052971) is N-[2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]-N-methylacetamide.
What is the SMILES notation for N-[2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]-N-methylacetamide?
The canonical SMILES for N-[2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]-N-methylacetamide is CC(=O)N(C)CC(=O)N1CC(O)CC1CN(C)C.
What is the InChIKey of N-[2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]-N-methylacetamide?
The InChIKey is LHCRQEHXBSCLNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-9(16)14(4)8-12(18)15-7-11(17)5-10(15)6-13(2)3/h10-11,17H,5-8H2,1-4H3.
What are the key properties of N-[2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]-N-methylacetamide?
N-[2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]-N-methylacetamide has a molecular weight of 257.33 g/mol, XLogP of -1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]-N-methylacetamide is sourced from PubChem (CID 66052971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).