2-amino-1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]butan-1-one

C10H20N2O2 — CID 102780574

IUPAC2-amino-1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]butan-1-one
SMILESCCC(N)C(=O)N1CCC(C)C1CO
InChIInChI=1S/C10H20N2O2/c1-3-8(11)10(14)12-5-4-7(2)9(12)6-13/h7-9,13H,3-6,11H2,1-2H3
InChIKeyHYVOMVJPRQXKMX-UHFFFAOYSA-N
MW200.28 g/mol
LogP-0.05
Rot. Bonds3

About 2-amino-1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]butan-1-one

2-amino-1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]butan-1-one (PubChem CID 102780574) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-amino-1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]butan-1-one.

Molecular Properties

Compound Name2-amino-1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]butan-1-one
PubChem CID102780574
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name2-amino-1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]butan-1-one
SMILESCCC(N)C(=O)N1CCC(C)C1CO
InChIInChI=1S/C10H20N2O2/c1-3-8(11)10(14)12-5-4-7(2)9(12)6-13/h7-9,13H,3-6,11H2,1-2H3
InChIKeyHYVOMVJPRQXKMX-UHFFFAOYSA-N
XLogP-0.05
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-amino-1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]butan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-amino-1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-3-(4-hydroxyphenyl)propan-1-one
CID 102780518
2-bromo-1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-3-methylbutan-1-one
CID 102778404
(2S)-2-amino-3-(3,4-dihydroxyphenyl)-1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propan-1-one
CID 102780640
1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]butan-1-one
CID 102738499
(2S)-2-amino-1-(2,4-dimethylpiperidin-1-yl)butan-1-one
CID 79023304
2-methylpropyl 2-(hydroxymethyl)-3-methylpyrrolidine-1-carboxylate
CID 102785992
[1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]urea
CID 102785839
N'-hydroxy-2-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]-3-methylbutanimidamide
CID 102784278
methyl 2-(hydroxymethyl)-3-methylpyrrolidine-1-carboxylate
CID 102738593
cyclopropyl-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
CID 102738013
2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-oxoacetic acid
CID 102784452
N-[1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-1-oxopropan-2-yl]propane-1-sulfonamide
CID 102737901

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]butan-1-one?
The IUPAC name of 2-amino-1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]butan-1-one (CID 102780574) is 2-amino-1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]butan-1-one.
What is the SMILES notation for 2-amino-1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]butan-1-one?
The canonical SMILES for 2-amino-1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]butan-1-one is CCC(N)C(=O)N1CCC(C)C1CO.
What is the InChIKey of 2-amino-1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]butan-1-one?
The InChIKey is HYVOMVJPRQXKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-3-8(11)10(14)12-5-4-7(2)9(12)6-13/h7-9,13H,3-6,11H2,1-2H3.
What are the key properties of 2-amino-1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]butan-1-one?
2-amino-1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]butan-1-one has a molecular weight of 200.28 g/mol, XLogP of -0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]butan-1-one is sourced from PubChem (CID 102780574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).