2-[[[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]amino]methyl]butanoic acid

C12H22N2O5 — CID 102933894

IUPAC2-[[[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]amino]methyl]butanoic acid
SMILESCCC(CNC(=O)N1CC(C)OC(CO)C1)C(=O)O
InChIInChI=1S/C12H22N2O5/c1-3-9(11(16)17)4-13-12(18)14-5-8(2)19-10(6-14)7-15/h8-10,15H,3-7H2,1-2H3,(H,13,18)(H,16,17)
InChIKeyRMKBIJFYSRIIQR-UHFFFAOYSA-N
MW274.32 g/mol
LogP-0.11
Rot. Bonds5

About 2-[[[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]amino]methyl]butanoic acid

2-[[[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]amino]methyl]butanoic acid (PubChem CID 102933894) has the molecular formula C12H22N2O5 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-[[[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]amino]methyl]butanoic acid.

Molecular Properties

Compound Name2-[[[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]amino]methyl]butanoic acid
PubChem CID102933894
Molecular FormulaC12H22N2O5
Molecular Weight274.32 g/mol
Exact Mass274.15
IUPAC Name2-[[[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]amino]methyl]butanoic acid
SMILESCCC(CNC(=O)N1CC(C)OC(CO)C1)C(=O)O
InChIInChI=1S/C12H22N2O5/c1-3-9(11(16)17)4-13-12(18)14-5-8(2)19-10(6-14)7-15/h8-10,15H,3-7H2,1-2H3,(H,13,18)(H,16,17)
InChIKeyRMKBIJFYSRIIQR-UHFFFAOYSA-N
XLogP-0.11
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[[[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]amino]methyl]butanoic acid 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

(2S)-2-hydroxy-3-[[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]amino]propanoic acid
CID 114007789
(2S)-4-hydroxy-2-[[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]amino]butanoic acid
CID 114005918
2-[[(2,6-dimethylthiomorpholine-4-carbonyl)amino]methyl]butanoic acid
CID 65226631
3-[[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]amino]-2-methylpropanoic acid
CID 104959652
2-[[[2-(hydroxymethyl)morpholine-4-carbonyl]amino]methyl]pentanoic acid
CID 81204870
2-[[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]amino]oxyacetic acid
CID 102933782
3-amino-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pentan-1-one
CID 102932658
2-ethyl-N-(4-hydroxy-2-phenylbutyl)-6-methylmorpholine-4-carboxamide
CID 111455922
1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-(propan-2-ylamino)ethanone
CID 102932666
2-[[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 102933774
2-[[(2-methylmorpholine-4-carbonyl)amino]methyl]pentanoic acid
CID 65218037
2,2-difluoro-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone
CID 103514025

Frequently Asked Questions

What is the IUPAC name of 2-[[[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]amino]methyl]butanoic acid?
The IUPAC name of 2-[[[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]amino]methyl]butanoic acid (CID 102933894) is 2-[[[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]amino]methyl]butanoic acid.
What is the SMILES notation for 2-[[[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]amino]methyl]butanoic acid?
The canonical SMILES for 2-[[[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]amino]methyl]butanoic acid is CCC(CNC(=O)N1CC(C)OC(CO)C1)C(=O)O.
What is the InChIKey of 2-[[[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]amino]methyl]butanoic acid?
The InChIKey is RMKBIJFYSRIIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O5/c1-3-9(11(16)17)4-13-12(18)14-5-8(2)19-10(6-14)7-15/h8-10,15H,3-7H2,1-2H3,(H,13,18)(H,16,17).
What are the key properties of 2-[[[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]amino]methyl]butanoic acid?
2-[[[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]amino]methyl]butanoic acid has a molecular weight of 274.32 g/mol, XLogP of -0.11, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]amino]methyl]butanoic acid is sourced from PubChem (CID 102933894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).