4-[[3-(dimethylamino)benzoyl]amino]oxolane-3-carboxylic acid

C14H18N2O4 — CID 66220726

IUPAC4-[[3-(dimethylamino)benzoyl]amino]oxolane-3-carboxylic acid
SMILESCN(C)c1cccc(C(=O)NC2COCC2C(=O)O)c1
InChIInChI=1S/C14H18N2O4/c1-16(2)10-5-3-4-9(6-10)13(17)15-12-8-20-7-11(12)14(18)19/h3-6,11-12H,7-8H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyNGOVBBGNPMENQX-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.58
Rot. Bonds4

About 4-[[3-(dimethylamino)benzoyl]amino]oxolane-3-carboxylic acid

4-[[3-(dimethylamino)benzoyl]amino]oxolane-3-carboxylic acid (PubChem CID 66220726) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 4-[[3-(dimethylamino)benzoyl]amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[[3-(dimethylamino)benzoyl]amino]oxolane-3-carboxylic acid
PubChem CID66220726
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name4-[[3-(dimethylamino)benzoyl]amino]oxolane-3-carboxylic acid
SMILESCN(C)c1cccc(C(=O)NC2COCC2C(=O)O)c1
InChIInChI=1S/C14H18N2O4/c1-16(2)10-5-3-4-9(6-10)13(17)15-12-8-20-7-11(12)14(18)19/h3-6,11-12H,7-8H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyNGOVBBGNPMENQX-UHFFFAOYSA-N
XLogP0.58
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-(dimethylamino)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 64814509
4-[(3-hydroxybenzoyl)amino]oxolane-3-carboxylic acid
CID 66223322
4-[(3-fluorobenzoyl)amino]oxolane-3-carboxylic acid
CID 66223767
4-[(3-bromobenzoyl)amino]oxolane-3-carboxylic acid
CID 66223965
4-(naphthalene-2-carbonylamino)oxolane-3-carboxylic acid
CID 66223547
4-[(2,6-dihydroxybenzoyl)amino]oxolane-3-carboxylic acid
CID 107688107
4-[[(3-methoxyphenyl)-methylcarbamoyl]amino]oxolane-3-carboxylic acid
CID 66240767
3-[3-(dimethylamino)phenyl]-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide
CID 118768379
4-(pyridine-4-carbonylamino)oxolane-3-carboxylic acid
CID 66222895
3-(dimethylamino)-N-[(3R,4R)-4-hydroxy-1-(2-morpholin-4-ylethyl)piperidin-3-yl]benzamide
CID 154815880
4-[[ethyl(phenyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 66240338
4-[(3-amino-4-chlorobenzoyl)amino]oxolane-3-carboxylic acid
CID 66239735

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(dimethylamino)benzoyl]amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[[3-(dimethylamino)benzoyl]amino]oxolane-3-carboxylic acid (CID 66220726) is 4-[[3-(dimethylamino)benzoyl]amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[[3-(dimethylamino)benzoyl]amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[[3-(dimethylamino)benzoyl]amino]oxolane-3-carboxylic acid is CN(C)c1cccc(C(=O)NC2COCC2C(=O)O)c1.
What is the InChIKey of 4-[[3-(dimethylamino)benzoyl]amino]oxolane-3-carboxylic acid?
The InChIKey is NGOVBBGNPMENQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-16(2)10-5-3-4-9(6-10)13(17)15-12-8-20-7-11(12)14(18)19/h3-6,11-12H,7-8H2,1-2H3,(H,15,17)(H,18,19).
What are the key properties of 4-[[3-(dimethylamino)benzoyl]amino]oxolane-3-carboxylic acid?
4-[[3-(dimethylamino)benzoyl]amino]oxolane-3-carboxylic acid has a molecular weight of 278.31 g/mol, XLogP of 0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(dimethylamino)benzoyl]amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66220726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).