4-[[[methyl(phenyl)carbamoyl]amino]methyl]oxane-4-carboxylic acid

C15H20N2O4 — CID 115440277

IUPAC4-[[[methyl(phenyl)carbamoyl]amino]methyl]oxane-4-carboxylic acid
SMILESCN(C(=O)NCC1(C(=O)O)CCOCC1)c1ccccc1
InChIInChI=1S/C15H20N2O4/c1-17(12-5-3-2-4-6-12)14(20)16-11-15(13(18)19)7-9-21-10-8-15/h2-6H,7-11H2,1H3,(H,16,20)(H,18,19)
InChIKeyWLZRBVNSJNTSHT-UHFFFAOYSA-N
MW292.33 g/mol
LogP1.71
Rot. Bonds4

About 4-[[[methyl(phenyl)carbamoyl]amino]methyl]oxane-4-carboxylic acid

4-[[[methyl(phenyl)carbamoyl]amino]methyl]oxane-4-carboxylic acid (PubChem CID 115440277) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 4-[[[methyl(phenyl)carbamoyl]amino]methyl]oxane-4-carboxylic acid.

Molecular Properties

Compound Name4-[[[methyl(phenyl)carbamoyl]amino]methyl]oxane-4-carboxylic acid
PubChem CID115440277
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name4-[[[methyl(phenyl)carbamoyl]amino]methyl]oxane-4-carboxylic acid
SMILESCN(C(=O)NCC1(C(=O)O)CCOCC1)c1ccccc1
InChIInChI=1S/C15H20N2O4/c1-17(12-5-3-2-4-6-12)14(20)16-11-15(13(18)19)7-9-21-10-8-15/h2-6H,7-11H2,1H3,(H,16,20)(H,18,19)
InChIKeyWLZRBVNSJNTSHT-UHFFFAOYSA-N
XLogP1.71
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[[(4-hydroxyphenyl)-methylcarbamoyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 107736885
4-[[[methyl(thiophen-2-ylmethyl)carbamoyl]amino]methyl]oxane-4-carboxylic acid
CID 115440346
1-[[[methyl(pyridin-3-yl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 115436939
4-[[[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]methyl]oxane-4-carboxylic acid
CID 115440343
1-[[[ethyl(phenyl)carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 113312370
4-[[(2-methyl-2-phenylpropanoyl)amino]methyl]oxane-4-carboxylic acid
CID 120543239
4-[[(2-anilinoacetyl)amino]methyl]oxane-4-carboxylic acid
CID 115439975
4-(aminomethyl)-N-methyl-N-phenyloxane-4-carboxamide;hydrochloride
CID 120916942
4-[[(1-phenoxycyclopropanecarbonyl)amino]methyl]oxane-4-carboxylic acid
CID 122108588
4-[[[2-[cyclopropanecarbonyl(methyl)amino]benzoyl]amino]methyl]oxane-4-carboxylic acid
CID 120542790
1-[[[ethyl(phenyl)carbamoyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 115446343
4-(phenylmethoxycarbonylaminomethyl)oxane-4-carboxylic acid
CID 91667078

Frequently Asked Questions

What is the IUPAC name of 4-[[[methyl(phenyl)carbamoyl]amino]methyl]oxane-4-carboxylic acid?
The IUPAC name of 4-[[[methyl(phenyl)carbamoyl]amino]methyl]oxane-4-carboxylic acid (CID 115440277) is 4-[[[methyl(phenyl)carbamoyl]amino]methyl]oxane-4-carboxylic acid.
What is the SMILES notation for 4-[[[methyl(phenyl)carbamoyl]amino]methyl]oxane-4-carboxylic acid?
The canonical SMILES for 4-[[[methyl(phenyl)carbamoyl]amino]methyl]oxane-4-carboxylic acid is CN(C(=O)NCC1(C(=O)O)CCOCC1)c1ccccc1.
What is the InChIKey of 4-[[[methyl(phenyl)carbamoyl]amino]methyl]oxane-4-carboxylic acid?
The InChIKey is WLZRBVNSJNTSHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-17(12-5-3-2-4-6-12)14(20)16-11-15(13(18)19)7-9-21-10-8-15/h2-6H,7-11H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 4-[[[methyl(phenyl)carbamoyl]amino]methyl]oxane-4-carboxylic acid?
4-[[[methyl(phenyl)carbamoyl]amino]methyl]oxane-4-carboxylic acid has a molecular weight of 292.33 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[methyl(phenyl)carbamoyl]amino]methyl]oxane-4-carboxylic acid is sourced from PubChem (CID 115440277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).