1-[[(2-methylmorpholine-4-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid

C12H20N2O4 — CID 113311291

IUPAC1-[[(2-methylmorpholine-4-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid
SMILESCC1CN(C(=O)NCC2(C(=O)O)CCC2)CCO1
InChIInChI=1S/C12H20N2O4/c1-9-7-14(5-6-18-9)11(17)13-8-12(10(15)16)3-2-4-12/h9H,2-8H2,1H3,(H,13,17)(H,15,16)
InChIKeyHQXFXRCPSXARAD-UHFFFAOYSA-N
MW256.30 g/mol
LogP0.67
Rot. Bonds3

About 1-[[(2-methylmorpholine-4-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid

1-[[(2-methylmorpholine-4-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid (PubChem CID 113311291) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 1-[[(2-methylmorpholine-4-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(2-methylmorpholine-4-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid
PubChem CID113311291
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name1-[[(2-methylmorpholine-4-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid
SMILESCC1CN(C(=O)NCC2(C(=O)O)CCC2)CCO1
InChIInChI=1S/C12H20N2O4/c1-9-7-14(5-6-18-9)11(17)13-8-12(10(15)16)3-2-4-12/h9H,2-8H2,1H3,(H,13,17)(H,15,16)
InChIKeyHQXFXRCPSXARAD-UHFFFAOYSA-N
XLogP0.67
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[(2-methylmorpholine-4-carbonyl)amino]methyl]cyclobutane-1-carboxylic 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

1-[[(2-ethylmorpholine-4-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 113311332
1-[[(3,4-dimethylpiperazine-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 115434335
1-[[(4-ethyl-3-methylpiperazine-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 115434336
1-[(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonylamino)methyl]cyclobutane-1-carboxylic acid
CID 113335992
1-[[(4-acetyl-1,4-diazepane-1-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 115446651
4-[(morpholine-4-carbonylamino)methyl]oxane-4-carboxylic acid
CID 113310020
1-[[(3-methoxypiperidine-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 102963018
1-[[(4-methyl-1,4-diazepane-1-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 115446252
N-(2-cyclopentylethyl)-2-methylmorpholine-4-carboxamide
CID 78892468
1-[[(3-methoxycarbonylpyrrolidine-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 115434458
3-ethyl-1-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]piperidine-3-carboxylic acid
CID 63137530
4-[[(3-methoxypiperidine-1-carbonyl)amino]methyl]oxane-4-carboxylic acid
CID 102962837

Frequently Asked Questions

What is the IUPAC name of 1-[[(2-methylmorpholine-4-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[[(2-methylmorpholine-4-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid (CID 113311291) is 1-[[(2-methylmorpholine-4-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[[(2-methylmorpholine-4-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[[(2-methylmorpholine-4-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid is CC1CN(C(=O)NCC2(C(=O)O)CCC2)CCO1.
What is the InChIKey of 1-[[(2-methylmorpholine-4-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid?
The InChIKey is HQXFXRCPSXARAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-9-7-14(5-6-18-9)11(17)13-8-12(10(15)16)3-2-4-12/h9H,2-8H2,1H3,(H,13,17)(H,15,16).
What are the key properties of 1-[[(2-methylmorpholine-4-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid?
1-[[(2-methylmorpholine-4-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid has a molecular weight of 256.30 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2-methylmorpholine-4-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 113311291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).