2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]butanamide

C11H23N3O2 — CID 66057242

IUPAC2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]butanamide
SMILESCCC(C(N)=O)N1CC(O)CC1CN(C)C
InChIInChI=1S/C11H23N3O2/c1-4-10(11(12)16)14-7-9(15)5-8(14)6-13(2)3/h8-10,15H,4-7H2,1-3H3,(H2,12,16)
InChIKeyDMTBHBNQNXBKCL-UHFFFAOYSA-N
MW229.32 g/mol
LogP-0.75
Rot. Bonds5

About 2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]butanamide

2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]butanamide (PubChem CID 66057242) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]butanamide.

Molecular Properties

Compound Name2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]butanamide
PubChem CID66057242
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Name2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]butanamide
SMILESCCC(C(N)=O)N1CC(O)CC1CN(C)C
InChIInChI=1S/C11H23N3O2/c1-4-10(11(12)16)14-7-9(15)5-8(14)6-13(2)3/h8-10,15H,4-7H2,1-3H3,(H2,12,16)
InChIKeyDMTBHBNQNXBKCL-UHFFFAOYSA-N
XLogP-0.75
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]butanoic acid
CID 66056021
2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]butanamide
CID 62900480
N-carbamoyl-2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]propanamide
CID 66053769
3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-N'-hydroxypentanimidamide
CID 77111703
5-[(dimethylamino)methyl]-1-pentan-2-ylpyrrolidin-3-ol
CID 107886038
3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]pentanenitrile
CID 66056198
2-amino-1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]propan-1-one
CID 66056619
1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]butane-1,3-dione
CID 66057029
2-[4-(1-amino-1-oxobutan-2-yl)-6-hydroxy-1,4-diazepan-1-yl]butanamide
CID 136518009
2-[[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]amino]butanoic acid
CID 66052740
1-(3-aminocyclobutyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 80561965
2-[(2S,4R)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 131175978

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]butanamide?
The IUPAC name of 2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]butanamide (CID 66057242) is 2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]butanamide.
What is the SMILES notation for 2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]butanamide?
The canonical SMILES for 2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]butanamide is CCC(C(N)=O)N1CC(O)CC1CN(C)C.
What is the InChIKey of 2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]butanamide?
The InChIKey is DMTBHBNQNXBKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-4-10(11(12)16)14-7-9(15)5-8(14)6-13(2)3/h8-10,15H,4-7H2,1-3H3,(H2,12,16).
What are the key properties of 2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]butanamide?
2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]butanamide has a molecular weight of 229.32 g/mol, XLogP of -0.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]butanamide is sourced from PubChem (CID 66057242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).