4-[(morpholine-4-carbonylamino)methyl]oxane-4-carboxylic acid

C12H20N2O5 — CID 113310020

IUPAC4-[(morpholine-4-carbonylamino)methyl]oxane-4-carboxylic acid
SMILESO=C(NCC1(C(=O)O)CCOCC1)N1CCOCC1
InChIInChI=1S/C12H20N2O5/c15-10(16)12(1-5-18-6-2-12)9-13-11(17)14-3-7-19-8-4-14/h1-9H2,(H,13,17)(H,15,16)
InChIKeyTZHKUOVVOCDUNG-UHFFFAOYSA-N
MW272.30 g/mol
LogP-0.09
Rot. Bonds3

About 4-[(morpholine-4-carbonylamino)methyl]oxane-4-carboxylic acid

4-[(morpholine-4-carbonylamino)methyl]oxane-4-carboxylic acid (PubChem CID 113310020) has the molecular formula C12H20N2O5 and a molecular weight of 272.30 g/mol. Its IUPAC name is 4-[(morpholine-4-carbonylamino)methyl]oxane-4-carboxylic acid.

Molecular Properties

Compound Name4-[(morpholine-4-carbonylamino)methyl]oxane-4-carboxylic acid
PubChem CID113310020
Molecular FormulaC12H20N2O5
Molecular Weight272.30 g/mol
Exact Mass272.14
IUPAC Name4-[(morpholine-4-carbonylamino)methyl]oxane-4-carboxylic acid
SMILESO=C(NCC1(C(=O)O)CCOCC1)N1CCOCC1
InChIInChI=1S/C12H20N2O5/c15-10(16)12(1-5-18-6-2-12)9-13-11(17)14-3-7-19-8-4-14/h1-9H2,(H,13,17)(H,15,16)
InChIKeyTZHKUOVVOCDUNG-UHFFFAOYSA-N
XLogP-0.09
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(4-methyl-1,4-diazepane-1-carbonyl)amino]methyl]oxane-4-carboxylic acid
CID 115440266
4-[[(4-methyl-3-oxopiperazine-1-carbonyl)amino]methyl]oxane-4-carboxylic acid
CID 115440582
4-[[(3-fluoropiperidine-1-carbonyl)amino]methyl]oxane-4-carboxylic acid
CID 154865412
4-[[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]methyl]oxane-4-carboxylic acid
CID 115440579
4-[[(3-methoxypiperidine-1-carbonyl)amino]methyl]oxane-4-carboxylic acid
CID 102962837
4-[[[2-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]methyl]oxane-4-carboxylic acid
CID 115440404
N-[(1-hydroxycycloheptyl)methyl]morpholine-4-carboxamide
CID 78993303
4-[(propanoylamino)methyl]oxane-4-carboxylic acid
CID 115438294
1-[(8-azaspiro[4.5]decane-8-carbonylamino)methyl]cyclobutane-1-carboxylic acid
CID 115446802
1-[[(4-aminopiperidine-1-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115451319
4-[[(2-methylazepane-1-carbonyl)amino]methyl]oxane-4-carboxylic acid
CID 115440562
4-[[(2,4-dimethylpiperidine-1-carbonyl)amino]methyl]oxane-4-carboxylic acid
CID 115440502

Frequently Asked Questions

What is the IUPAC name of 4-[(morpholine-4-carbonylamino)methyl]oxane-4-carboxylic acid?
The IUPAC name of 4-[(morpholine-4-carbonylamino)methyl]oxane-4-carboxylic acid (CID 113310020) is 4-[(morpholine-4-carbonylamino)methyl]oxane-4-carboxylic acid.
What is the SMILES notation for 4-[(morpholine-4-carbonylamino)methyl]oxane-4-carboxylic acid?
The canonical SMILES for 4-[(morpholine-4-carbonylamino)methyl]oxane-4-carboxylic acid is O=C(NCC1(C(=O)O)CCOCC1)N1CCOCC1.
What is the InChIKey of 4-[(morpholine-4-carbonylamino)methyl]oxane-4-carboxylic acid?
The InChIKey is TZHKUOVVOCDUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O5/c15-10(16)12(1-5-18-6-2-12)9-13-11(17)14-3-7-19-8-4-14/h1-9H2,(H,13,17)(H,15,16).
What are the key properties of 4-[(morpholine-4-carbonylamino)methyl]oxane-4-carboxylic acid?
4-[(morpholine-4-carbonylamino)methyl]oxane-4-carboxylic acid has a molecular weight of 272.30 g/mol, XLogP of -0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(morpholine-4-carbonylamino)methyl]oxane-4-carboxylic acid is sourced from PubChem (CID 113310020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).