2-amino-3-methyl-1-morpholin-4-ylbutan-1-one

C9H18N2O2 — CID 22492154

IUPAC2-amino-3-methyl-1-morpholin-4-ylbutan-1-one
SMILESCC(C)C(N)C(=O)N1CCOCC1
InChIInChI=1S/C9H18N2O2/c1-7(2)8(10)9(12)11-3-5-13-6-4-11/h7-8H,3-6,10H2,1-2H3
InChIKeyGUDFDFVIXKMPIB-UHFFFAOYSA-N
MW186.25 g/mol
LogP-0.17
Rot. Bonds2

About 2-amino-3-methyl-1-morpholin-4-ylbutan-1-one

2-amino-3-methyl-1-morpholin-4-ylbutan-1-one (PubChem CID 22492154) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-amino-3-methyl-1-morpholin-4-ylbutan-1-one.

Molecular Properties

Compound Name2-amino-3-methyl-1-morpholin-4-ylbutan-1-one
PubChem CID22492154
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name2-amino-3-methyl-1-morpholin-4-ylbutan-1-one
SMILESCC(C)C(N)C(=O)N1CCOCC1
InChIInChI=1S/C9H18N2O2/c1-7(2)8(10)9(12)11-3-5-13-6-4-11/h7-8H,3-6,10H2,1-2H3
InChIKeyGUDFDFVIXKMPIB-UHFFFAOYSA-N
XLogP-0.17
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-amino-3-methyl-1-morpholin-4-ylbutan-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-morpholin-4-ylpropan-1-one;hydrochloride
CID 156637014
(2R)-2-amino-1-(1,4,7-trioxa-10-azacyclododec-10-yl)propan-1-one
CID 1121708
4-[(2S)-2-amino-3-methylbutanoyl]piperazine-1-carboxylic acid
CID 141387551
(2S)-2-hydroxy-3-methyl-1-morpholin-4-ylbutan-1-one
CID 69460030
2-amino-3-methyl-1-thiomorpholin-4-ylbutan-1-one
CID 43210684
(2R)-2-amino-3-methyl-1-thiomorpholin-4-ylbutan-1-one
CID 28787387
(2R)-2-amino-3-methyl-1-(2-methylmorpholin-4-yl)butan-1-one
CID 79011523
(2S)-2-amino-1-(2,2-dimethylmorpholin-4-yl)-3-methylbutan-1-one
CID 61156475
(2S)-2-amino-3-methyl-1-(2-methylmorpholin-4-yl)butan-1-one
CID 61148534
(2S)-2-chloro-1-morpholin-4-ylpropan-1-one
CID 2434799
2-amino-1-(4,4-dimethylpiperidin-1-yl)-3-methylbutan-1-one
CID 62930579
(2R)-2-amino-3-methyl-1-(3-methylpyrrolidin-1-yl)butan-1-one
CID 79013338

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-1-morpholin-4-ylbutan-1-one?
The IUPAC name of 2-amino-3-methyl-1-morpholin-4-ylbutan-1-one (CID 22492154) is 2-amino-3-methyl-1-morpholin-4-ylbutan-1-one.
What is the SMILES notation for 2-amino-3-methyl-1-morpholin-4-ylbutan-1-one?
The canonical SMILES for 2-amino-3-methyl-1-morpholin-4-ylbutan-1-one is CC(C)C(N)C(=O)N1CCOCC1.
What is the InChIKey of 2-amino-3-methyl-1-morpholin-4-ylbutan-1-one?
The InChIKey is GUDFDFVIXKMPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-7(2)8(10)9(12)11-3-5-13-6-4-11/h7-8H,3-6,10H2,1-2H3.
What are the key properties of 2-amino-3-methyl-1-morpholin-4-ylbutan-1-one?
2-amino-3-methyl-1-morpholin-4-ylbutan-1-one has a molecular weight of 186.25 g/mol, XLogP of -0.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-1-morpholin-4-ylbutan-1-one is sourced from PubChem (CID 22492154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).