4-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]oxane-4-carboxylic acid

C14H24N2O5 — CID 115293203

IUPAC4-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]oxane-4-carboxylic acid
SMILESCOCC1CCN(C(=O)NC2(C(=O)O)CCOCC2)CC1
InChIInChI=1S/C14H24N2O5/c1-20-10-11-2-6-16(7-3-11)13(19)15-14(12(17)18)4-8-21-9-5-14/h11H,2-10H2,1H3,(H,15,19)(H,17,18)
InChIKeyBDYKHAOMPGDOCM-UHFFFAOYSA-N
MW300.36 g/mol
LogP0.69
Rot. Bonds4

About 4-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]oxane-4-carboxylic acid

4-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]oxane-4-carboxylic acid (PubChem CID 115293203) has the molecular formula C14H24N2O5 and a molecular weight of 300.36 g/mol. Its IUPAC name is 4-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]oxane-4-carboxylic acid.

Molecular Properties

Compound Name4-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]oxane-4-carboxylic acid
PubChem CID115293203
Molecular FormulaC14H24N2O5
Molecular Weight300.36 g/mol
Exact Mass300.17
IUPAC Name4-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]oxane-4-carboxylic acid
SMILESCOCC1CCN(C(=O)NC2(C(=O)O)CCOCC2)CC1
InChIInChI=1S/C14H24N2O5/c1-20-10-11-2-6-16(7-3-11)13(19)15-14(12(17)18)4-8-21-9-5-14/h11H,2-10H2,1H3,(H,15,19)(H,17,18)
InChIKeyBDYKHAOMPGDOCM-UHFFFAOYSA-N
XLogP0.69
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 64596804
1-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]-4-methylcyclohexane-1-carboxylic acid
CID 64598227
1-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]cyclopropane-1-carboxylic acid
CID 106588000
4-[(4-methylazepane-1-carbonyl)amino]oxane-4-carboxylic acid
CID 115293181
4-[[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]amino]oxane-4-carboxylic acid
CID 114799059
4-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]oxane-4-carboxylic acid
CID 115293156
4-[(3-ethylpiperidine-1-carbonyl)amino]oxane-4-carboxylic acid
CID 115292892
4-methyl-1-(morpholine-4-carbonylamino)cyclohexane-1-carboxylic acid
CID 61186956
3-[(4-ethylazepane-1-carbonyl)amino]oxolane-3-carboxylic acid
CID 64892475
4-[[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]methyl]oxane-4-carboxylic acid
CID 115440579
1-(morpholine-4-carbonylamino)cyclopropane-1-carboxylic acid
CID 65451097
4-[[4-(2-hydroxyethyl)piperazine-1-carbonyl]amino]oxane-4-carboxylic acid
CID 115292897

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]oxane-4-carboxylic acid?
The IUPAC name of 4-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]oxane-4-carboxylic acid (CID 115293203) is 4-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]oxane-4-carboxylic acid.
What is the SMILES notation for 4-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]oxane-4-carboxylic acid?
The canonical SMILES for 4-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]oxane-4-carboxylic acid is COCC1CCN(C(=O)NC2(C(=O)O)CCOCC2)CC1.
What is the InChIKey of 4-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]oxane-4-carboxylic acid?
The InChIKey is BDYKHAOMPGDOCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O5/c1-20-10-11-2-6-16(7-3-11)13(19)15-14(12(17)18)4-8-21-9-5-14/h11H,2-10H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 4-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]oxane-4-carboxylic acid?
4-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]oxane-4-carboxylic acid has a molecular weight of 300.36 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]oxane-4-carboxylic acid is sourced from PubChem (CID 115293203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).