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

C14H24N2O4 — CID 115293181

IUPAC4-[(4-methylazepane-1-carbonyl)amino]oxane-4-carboxylic acid
SMILESCC1CCCN(C(=O)NC2(C(=O)O)CCOCC2)CC1
InChIInChI=1S/C14H24N2O4/c1-11-3-2-7-16(8-4-11)13(19)15-14(12(17)18)5-9-20-10-6-14/h11H,2-10H2,1H3,(H,15,19)(H,17,18)
InChIKeyRVOKSTOBCHSIKQ-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.45
Rot. Bonds2

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

4-[(4-methylazepane-1-carbonyl)amino]oxane-4-carboxylic acid (PubChem CID 115293181) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-[(4-methylazepane-1-carbonyl)amino]oxane-4-carboxylic acid.

Molecular Properties

Compound Name4-[(4-methylazepane-1-carbonyl)amino]oxane-4-carboxylic acid
PubChem CID115293181
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name4-[(4-methylazepane-1-carbonyl)amino]oxane-4-carboxylic acid
SMILESCC1CCCN(C(=O)NC2(C(=O)O)CCOCC2)CC1
InChIInChI=1S/C14H24N2O4/c1-11-3-2-7-16(8-4-11)13(19)15-14(12(17)18)5-9-20-10-6-14/h11H,2-10H2,1H3,(H,15,19)(H,17,18)
InChIKeyRVOKSTOBCHSIKQ-UHFFFAOYSA-N
XLogP1.45
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-1-(morpholine-4-carbonylamino)cyclohexane-1-carboxylic acid
CID 61186956
4-[(3-ethylpiperidine-1-carbonyl)amino]oxane-4-carboxylic acid
CID 115292892
4-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]oxane-4-carboxylic acid
CID 115293203
3-[(4-ethylazepane-1-carbonyl)amino]oxolane-3-carboxylic acid
CID 64892475
4-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]oxane-4-carboxylic acid
CID 115293156
1-[(3-methylpyrrolidine-1-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 61225245
1-[(4-aminopiperidine-1-carbonyl)amino]-4-methylcyclohexane-1-carboxylic acid
CID 61403065
1-(morpholine-4-carbonylamino)cyclopropane-1-carboxylic acid
CID 65451097
1-[(4-methylsulfanylazepane-1-carbonyl)amino]cyclopropane-1-carboxylic acid
CID 114237959
4-[[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]amino]oxane-4-carboxylic acid
CID 114799059
3-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]oxolane-3-carboxylic acid
CID 106836803
3-[[4-(methylcarbamoyl)piperidine-1-carbonyl]amino]oxolane-3-carboxylic acid
CID 64893474

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylazepane-1-carbonyl)amino]oxane-4-carboxylic acid?
The IUPAC name of 4-[(4-methylazepane-1-carbonyl)amino]oxane-4-carboxylic acid (CID 115293181) is 4-[(4-methylazepane-1-carbonyl)amino]oxane-4-carboxylic acid.
What is the SMILES notation for 4-[(4-methylazepane-1-carbonyl)amino]oxane-4-carboxylic acid?
The canonical SMILES for 4-[(4-methylazepane-1-carbonyl)amino]oxane-4-carboxylic acid is CC1CCCN(C(=O)NC2(C(=O)O)CCOCC2)CC1.
What is the InChIKey of 4-[(4-methylazepane-1-carbonyl)amino]oxane-4-carboxylic acid?
The InChIKey is RVOKSTOBCHSIKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-11-3-2-7-16(8-4-11)13(19)15-14(12(17)18)5-9-20-10-6-14/h11H,2-10H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 4-[(4-methylazepane-1-carbonyl)amino]oxane-4-carboxylic acid?
4-[(4-methylazepane-1-carbonyl)amino]oxane-4-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 1.45, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylazepane-1-carbonyl)amino]oxane-4-carboxylic acid is sourced from PubChem (CID 115293181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).