4-amino-1-[(3R)-3-methylmorpholin-4-yl]butan-1-one

C9H18N2O2 — CID 93111675

IUPAC4-amino-1-[(3R)-3-methylmorpholin-4-yl]butan-1-one
SMILESC[C@@H]1COCCN1C(=O)CCCN
InChIInChI=1S/C9H18N2O2/c1-8-7-13-6-5-11(8)9(12)3-2-4-10/h8H,2-7,10H2,1H3/t8-/m1/s1
InChIKeyKLRWUTLJWSHOLR-MRVPVSSYSA-N
MW186.25 g/mol
LogP-0.03
Rot. Bonds3

About 4-amino-1-[(3R)-3-methylmorpholin-4-yl]butan-1-one

4-amino-1-[(3R)-3-methylmorpholin-4-yl]butan-1-one (PubChem CID 93111675) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 4-amino-1-[(3R)-3-methylmorpholin-4-yl]butan-1-one.

Molecular Properties

Compound Name4-amino-1-[(3R)-3-methylmorpholin-4-yl]butan-1-one
PubChem CID93111675
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name4-amino-1-[(3R)-3-methylmorpholin-4-yl]butan-1-one
SMILESC[C@@H]1COCCN1C(=O)CCCN
InChIInChI=1S/C9H18N2O2/c1-8-7-13-6-5-11(8)9(12)3-2-4-10/h8H,2-7,10H2,1H3/t8-/m1/s1
InChIKeyKLRWUTLJWSHOLR-MRVPVSSYSA-N
XLogP-0.03
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-amino-1-[(3R)-3-methylmorpholin-4-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

6-amino-1-[(3R)-3-methylmorpholin-4-yl]hexan-1-one
CID 106774401
4-(methylamino)-1-(3-methylmorpholin-4-yl)butan-1-one
CID 60842403
4-[(3R)-3-methylmorpholin-4-yl]-4-oxobutanoic acid
CID 93111439
1-(3-methylmorpholin-4-yl)-3-sulfanylpropan-1-one
CID 107022927
2-(methylamino)-1-(3-methylmorpholin-4-yl)ethanone
CID 43542226
[1-(aminomethyl)cyclopropyl]-(3-methylmorpholin-4-yl)methanone
CID 80588742
ethyl 4-[(3R)-3-methylmorpholin-4-yl]-2,4-dioxobutanoate
CID 163276648
1-(4-methoxyphenyl)-5-(3-methylmorpholin-4-yl)pentane-1,5-dione
CID 110309824
1-[(3S)-3-methylmorpholin-4-yl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butan-1-one
CID 94111474
N'-hydroxy-3-(3-methylmorpholin-4-yl)-3-oxopropanimidamide
CID 43542531
methyl 3-methylmorpholine-4-carboxylate
CID 110292243
4-(3-chlorophenyl)-1-(3-methylmorpholin-4-yl)butan-1-one
CID 110631138

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(3R)-3-methylmorpholin-4-yl]butan-1-one?
The IUPAC name of 4-amino-1-[(3R)-3-methylmorpholin-4-yl]butan-1-one (CID 93111675) is 4-amino-1-[(3R)-3-methylmorpholin-4-yl]butan-1-one.
What is the SMILES notation for 4-amino-1-[(3R)-3-methylmorpholin-4-yl]butan-1-one?
The canonical SMILES for 4-amino-1-[(3R)-3-methylmorpholin-4-yl]butan-1-one is C[C@@H]1COCCN1C(=O)CCCN.
What is the InChIKey of 4-amino-1-[(3R)-3-methylmorpholin-4-yl]butan-1-one?
The InChIKey is KLRWUTLJWSHOLR-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-8-7-13-6-5-11(8)9(12)3-2-4-10/h8H,2-7,10H2,1H3/t8-/m1/s1.
What are the key properties of 4-amino-1-[(3R)-3-methylmorpholin-4-yl]butan-1-one?
4-amino-1-[(3R)-3-methylmorpholin-4-yl]butan-1-one has a molecular weight of 186.25 g/mol, XLogP of -0.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(3R)-3-methylmorpholin-4-yl]butan-1-one is sourced from PubChem (CID 93111675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).