4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]oxolane-3-carboxylic acid

C14H16ClNO5 — CID 66222245

IUPAC4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]oxolane-3-carboxylic acid
SMILESCc1cc(OCC(=O)NC2COCC2C(=O)O)ccc1Cl
InChIInChI=1S/C14H16ClNO5/c1-8-4-9(2-3-11(8)15)21-7-13(17)16-12-6-20-5-10(12)14(18)19/h2-4,10,12H,5-7H2,1H3,(H,16,17)(H,18,19)
InChIKeyQCCQARUGFVFZBH-UHFFFAOYSA-N
MW313.74 g/mol
LogP1.24
Rot. Bonds5

About 4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]oxolane-3-carboxylic acid

4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]oxolane-3-carboxylic acid (PubChem CID 66222245) has the molecular formula C14H16ClNO5 and a molecular weight of 313.74 g/mol. Its IUPAC name is 4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]oxolane-3-carboxylic acid
PubChem CID66222245
Molecular FormulaC14H16ClNO5
Molecular Weight313.74 g/mol
Exact Mass313.07
IUPAC Name4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]oxolane-3-carboxylic acid
SMILESCc1cc(OCC(=O)NC2COCC2C(=O)O)ccc1Cl
InChIInChI=1S/C14H16ClNO5/c1-8-4-9(2-3-11(8)15)21-7-13(17)16-12-6-20-5-10(12)14(18)19/h2-4,10,12H,5-7H2,1H3,(H,16,17)(H,18,19)
InChIKeyQCCQARUGFVFZBH-UHFFFAOYSA-N
XLogP1.24
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.74
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]oxolane-3-carboxylic acid with MolForge

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Related Compounds

4-[[2-(2,6-dimethylphenoxy)acetyl]amino]oxolane-3-carboxylic acid
CID 66221815
cis-(1S,3R)-3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120677149
4-[[2-(2,5-dimethylphenoxy)acetyl]amino]oxolane-3-carboxylic acid
CID 66223571
2-(4-chloro-3-methylphenoxy)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]acetamide
CID 11916036
4-[[2-(2,3-dimethylphenoxy)acetyl]amino]oxolane-3-carboxylic acid
CID 66221192
2-(4-chloro-3-methylphenoxy)-N'-[2-(4-chloro-3-methylphenoxy)acetyl]acetohydrazide
CID 3554706
bis(2-(4-chloro-3-methylphenoxy)acetohydrazide);2,3-dihydroxybutanedioic acid
CID 19169518
1-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]cyclopropane-1-carboxylic acid
CID 65450765
2-[(3R,4S)-3-[[2-(3,4-dichlorophenoxy)acetyl]amino]oxan-4-yl]oxyacetic acid
CID 91771663
(1S,2S,3R,4S)-3-[[[2-(4-chloro-3-methylphenoxy)acetyl]amino]carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 98289805
2-(4-chloro-3-methylphenoxy)-N-[8-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]octyl]acetamide
CID 17233325
2-(3,4-dimethylphenoxy)-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide
CID 104957304

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]oxolane-3-carboxylic acid (CID 66222245) is 4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]oxolane-3-carboxylic acid is Cc1cc(OCC(=O)NC2COCC2C(=O)O)ccc1Cl.
What is the InChIKey of 4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]oxolane-3-carboxylic acid?
The InChIKey is QCCQARUGFVFZBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO5/c1-8-4-9(2-3-11(8)15)21-7-13(17)16-12-6-20-5-10(12)14(18)19/h2-4,10,12H,5-7H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]oxolane-3-carboxylic acid?
4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]oxolane-3-carboxylic acid has a molecular weight of 313.74 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66222245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).