3-[[benzyl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid

C14H18N2O4 — CID 64889091

IUPAC3-[[benzyl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid
SMILESCN(Cc1ccccc1)C(=O)NC1(C(=O)O)CCOC1
InChIInChI=1S/C14H18N2O4/c1-16(9-11-5-3-2-4-6-11)13(19)15-14(12(17)18)7-8-20-10-14/h2-6H,7-10H2,1H3,(H,15,19)(H,17,18)
InChIKeyPMPSZRNJMCXWAD-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.07
Rot. Bonds4

About 3-[[benzyl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid

3-[[benzyl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid (PubChem CID 64889091) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 3-[[benzyl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-[[benzyl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid
PubChem CID64889091
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name3-[[benzyl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid
SMILESCN(Cc1ccccc1)C(=O)NC1(C(=O)O)CCOC1
InChIInChI=1S/C14H18N2O4/c1-16(9-11-5-3-2-4-6-11)13(19)15-14(12(17)18)7-8-20-10-14/h2-6H,7-10H2,1H3,(H,15,19)(H,17,18)
InChIKeyPMPSZRNJMCXWAD-UHFFFAOYSA-N
XLogP1.07
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(5-bromothiophen-3-yl)methyl-methylcarbamoyl]amino]oxolane-3-carboxylic acid
CID 64894094
3-[[butyl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 64889094
3-[[cyclopropylmethyl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 64892035
3-[[methyl(2-methylsulfonylethyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 79864967
3-[[ethyl-(4-methylphenyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 64893700
3-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]oxolane-3-carboxylic acid
CID 106917281
3-[[methyl(oxan-4-yl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 64893257
methyl 4-[[methyl-[3-(phenylmethoxycarbonylamino)oxolane-3-carbonyl]amino]methyl]benzoate
CID 75451248
methyl 4-[[methyl-[(3S)-3-(phenylmethoxycarbonylamino)oxolane-3-carbonyl]amino]methyl]benzoate
CID 97345895
3-[[4-(dimethylamino)benzoyl]amino]oxolane-3-carboxylic acid
CID 64890394
3-[[benzyl(methyl)amino]methyl]oxolane-3-carboxylic acid
CID 62272842
3-[[2-(3-aminophenyl)acetyl]amino]oxolane-3-carboxylic acid
CID 65350121

Frequently Asked Questions

What is the IUPAC name of 3-[[benzyl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid?
The IUPAC name of 3-[[benzyl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid (CID 64889091) is 3-[[benzyl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-[[benzyl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid?
The canonical SMILES for 3-[[benzyl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid is CN(Cc1ccccc1)C(=O)NC1(C(=O)O)CCOC1.
What is the InChIKey of 3-[[benzyl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid?
The InChIKey is PMPSZRNJMCXWAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-16(9-11-5-3-2-4-6-11)13(19)15-14(12(17)18)7-8-20-10-14/h2-6H,7-10H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 3-[[benzyl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid?
3-[[benzyl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid has a molecular weight of 278.31 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[benzyl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 64889091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).