2-amino-1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]propan-1-one

C10H21N3O2 — CID 66056619

IUPAC2-amino-1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]propan-1-one
SMILESCC(N)C(=O)N1CC(O)CC1CN(C)C
InChIInChI=1S/C10H21N3O2/c1-7(11)10(15)13-6-9(14)4-8(13)5-12(2)3/h7-9,14H,4-6,11H2,1-3H3
InChIKeyREIUQQRJAPSRNL-UHFFFAOYSA-N
MW215.30 g/mol
LogP-1.14
Rot. Bonds3

About 2-amino-1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]propan-1-one

2-amino-1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]propan-1-one (PubChem CID 66056619) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-amino-1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-amino-1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]propan-1-one
PubChem CID66056619
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC Name2-amino-1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]propan-1-one
SMILESCC(N)C(=O)N1CC(O)CC1CN(C)C
InChIInChI=1S/C10H21N3O2/c1-7(11)10(15)13-6-9(14)4-8(13)5-12(2)3/h7-9,14H,4-6,11H2,1-3H3
InChIKeyREIUQQRJAPSRNL-UHFFFAOYSA-N
XLogP-1.14
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 5-1.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]propan-1-one
CID 66056203
(2R)-2-amino-1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-3,3-dimethylbutan-1-one
CID 113353519
3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-methyl-3-oxopropanenitrile
CID 66054264
(2R)-2-amino-1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-4-methylsulfanylbutan-1-one
CID 104908660
2-amino-1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-thiophen-2-ylethanone
CID 115287440
2-[[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]amino]propanoic acid
CID 66052545
1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]butane-1,3-dione
CID 66057029
2-[(dimethylamino)methyl]-4-hydroxy-N'-(2-methylpropyl)pyrrolidine-1-carboximidamide
CID 66053575
(4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methanone
CID 66055980
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
N-[2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]-N-methylacetamide
CID 66052971

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]propan-1-one?
The IUPAC name of 2-amino-1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]propan-1-one (CID 66056619) is 2-amino-1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 2-amino-1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 2-amino-1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]propan-1-one is CC(N)C(=O)N1CC(O)CC1CN(C)C.
What is the InChIKey of 2-amino-1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]propan-1-one?
The InChIKey is REIUQQRJAPSRNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-7(11)10(15)13-6-9(14)4-8(13)5-12(2)3/h7-9,14H,4-6,11H2,1-3H3.
What are the key properties of 2-amino-1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]propan-1-one?
2-amino-1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]propan-1-one has a molecular weight of 215.30 g/mol, XLogP of -1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 66056619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).