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

C13H22N2O4 — CID 113311332

IUPAC1-[[(2-ethylmorpholine-4-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid
SMILESCCC1CN(C(=O)NCC2(C(=O)O)CCC2)CCO1
InChIInChI=1S/C13H22N2O4/c1-2-10-8-15(6-7-19-10)12(18)14-9-13(11(16)17)4-3-5-13/h10H,2-9H2,1H3,(H,14,18)(H,16,17)
InChIKeyCRWDOKLSASSPGW-UHFFFAOYSA-N
MW270.33 g/mol
LogP1.06
Rot. Bonds4

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

1-[[(2-ethylmorpholine-4-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid (PubChem CID 113311332) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 1-[[(2-ethylmorpholine-4-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(2-ethylmorpholine-4-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid
PubChem CID113311332
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name1-[[(2-ethylmorpholine-4-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid
SMILESCCC1CN(C(=O)NCC2(C(=O)O)CCC2)CCO1
InChIInChI=1S/C13H22N2O4/c1-2-10-8-15(6-7-19-10)12(18)14-9-13(11(16)17)4-3-5-13/h10H,2-9H2,1H3,(H,14,18)(H,16,17)
InChIKeyCRWDOKLSASSPGW-UHFFFAOYSA-N
XLogP1.06
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(2-methylmorpholine-4-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 113311291
1-[(2-ethylmorpholine-4-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 81163145
1-[2-(2-ethylmorpholin-4-yl)-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 43562549
N-(2-aminoethyl)-2-ethylmorpholine-4-carboxamide
CID 82506232
1-[[(3-ethylpiperidine-1-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 113312418
1-[[(4-ethylpiperidine-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 115434102
2-ethylmorpholine-4-carboxylic acid
CID 121455686
1-[[(4-ethyl-3-methylpiperazine-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 115434336
1-[[(3-methoxycarbonylpyrrolidine-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 115434458
1-[[(3,4-dimethylpiperazine-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 115434335
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

Frequently Asked Questions

What is the IUPAC name of 1-[[(2-ethylmorpholine-4-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[[(2-ethylmorpholine-4-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid (CID 113311332) is 1-[[(2-ethylmorpholine-4-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[[(2-ethylmorpholine-4-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[[(2-ethylmorpholine-4-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid is CCC1CN(C(=O)NCC2(C(=O)O)CCC2)CCO1.
What is the InChIKey of 1-[[(2-ethylmorpholine-4-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid?
The InChIKey is CRWDOKLSASSPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-2-10-8-15(6-7-19-10)12(18)14-9-13(11(16)17)4-3-5-13/h10H,2-9H2,1H3,(H,14,18)(H,16,17).
What are the key properties of 1-[[(2-ethylmorpholine-4-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid?
1-[[(2-ethylmorpholine-4-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid has a molecular weight of 270.33 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2-ethylmorpholine-4-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 113311332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).