4-[[2-(2-aminoethyl)benzoyl]amino]oxolane-3-carboxylic acid

C14H18N2O4 — CID 66238525

IUPAC4-[[2-(2-aminoethyl)benzoyl]amino]oxolane-3-carboxylic acid
SMILESNCCc1ccccc1C(=O)NC1COCC1C(=O)O
InChIInChI=1S/C14H18N2O4/c15-6-5-9-3-1-2-4-10(9)13(17)16-12-8-20-7-11(12)14(18)19/h1-4,11-12H,5-8,15H2,(H,16,17)(H,18,19)
InChIKeyDPZZELBDKJSMHP-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.02
Rot. Bonds5

About 4-[[2-(2-aminoethyl)benzoyl]amino]oxolane-3-carboxylic acid

4-[[2-(2-aminoethyl)benzoyl]amino]oxolane-3-carboxylic acid (PubChem CID 66238525) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 4-[[2-(2-aminoethyl)benzoyl]amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[[2-(2-aminoethyl)benzoyl]amino]oxolane-3-carboxylic acid
PubChem CID66238525
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name4-[[2-(2-aminoethyl)benzoyl]amino]oxolane-3-carboxylic acid
SMILESNCCc1ccccc1C(=O)NC1COCC1C(=O)O
InChIInChI=1S/C14H18N2O4/c15-6-5-9-3-1-2-4-10(9)13(17)16-12-8-20-7-11(12)14(18)19/h1-4,11-12H,5-8,15H2,(H,16,17)(H,18,19)
InChIKeyDPZZELBDKJSMHP-UHFFFAOYSA-N
XLogP0.02
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(2S)-2-amino-3-phenylpropanoyl]amino]oxolane-3-carboxylic acid
CID 66238523
4-[(2,5-dichlorobenzoyl)amino]oxolane-3-carboxylic acid
CID 66221387
2-(2-aminoethyl)-N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 106361498
4-[(2,5-difluorobenzoyl)amino]oxolane-3-carboxylic acid
CID 66220763
4-[3-(2-chlorophenyl)propanoylamino]oxolane-3-carboxylic acid
CID 66222677
4-[(2,6-dihydroxybenzoyl)amino]oxolane-3-carboxylic acid
CID 107688107
4-(naphthalene-2-carbonylamino)oxolane-3-carboxylic acid
CID 66223547
4-(quinoline-8-carbonylamino)oxolane-3-carboxylic acid
CID 66221838
(3R,4R)-4-(phenylmethoxycarbonylamino)oxolane-3-carboxylic acid
CID 175653873
4-[(5-bromo-2-fluorobenzoyl)amino]oxolane-3-carboxylic acid
CID 66223102
4-[2-(2-methylphenyl)ethylcarbamoylamino]oxolane-3-carboxylic acid
CID 79757146
4-[[2-(aminomethyl)pyridine-4-carbonyl]amino]oxolane-3-carboxylic acid
CID 114326740

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-aminoethyl)benzoyl]amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[[2-(2-aminoethyl)benzoyl]amino]oxolane-3-carboxylic acid (CID 66238525) is 4-[[2-(2-aminoethyl)benzoyl]amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[[2-(2-aminoethyl)benzoyl]amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[[2-(2-aminoethyl)benzoyl]amino]oxolane-3-carboxylic acid is NCCc1ccccc1C(=O)NC1COCC1C(=O)O.
What is the InChIKey of 4-[[2-(2-aminoethyl)benzoyl]amino]oxolane-3-carboxylic acid?
The InChIKey is DPZZELBDKJSMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c15-6-5-9-3-1-2-4-10(9)13(17)16-12-8-20-7-11(12)14(18)19/h1-4,11-12H,5-8,15H2,(H,16,17)(H,18,19).
What are the key properties of 4-[[2-(2-aminoethyl)benzoyl]amino]oxolane-3-carboxylic acid?
4-[[2-(2-aminoethyl)benzoyl]amino]oxolane-3-carboxylic acid has a molecular weight of 278.31 g/mol, XLogP of 0.02, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-aminoethyl)benzoyl]amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66238525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).