4-[[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]methyl]oxane-4-carboxylic acid

C17H20ClNO4 — CID 120542776

IUPAC4-[[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]methyl]oxane-4-carboxylic acid
SMILESO=C(NCC1(C(=O)O)CCOCC1)C1CC1c1ccccc1Cl
InChIInChI=1S/C17H20ClNO4/c18-14-4-2-1-3-11(14)12-9-13(12)15(20)19-10-17(16(21)22)5-7-23-8-6-17/h1-4,12-13H,5-10H2,(H,19,20)(H,21,22)
InChIKeyQPQLNERNYJDXBW-UHFFFAOYSA-N
MW337.80 g/mol
LogP2.44
Rot. Bonds5

About 4-[[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]methyl]oxane-4-carboxylic acid

4-[[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]methyl]oxane-4-carboxylic acid (PubChem CID 120542776) has the molecular formula C17H20ClNO4 and a molecular weight of 337.80 g/mol. Its IUPAC name is 4-[[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]methyl]oxane-4-carboxylic acid.

Molecular Properties

Compound Name4-[[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]methyl]oxane-4-carboxylic acid
PubChem CID120542776
Molecular FormulaC17H20ClNO4
Molecular Weight337.80 g/mol
Exact Mass337.11
IUPAC Name4-[[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]methyl]oxane-4-carboxylic acid
SMILESO=C(NCC1(C(=O)O)CCOCC1)C1CC1c1ccccc1Cl
InChIInChI=1S/C17H20ClNO4/c18-14-4-2-1-3-11(14)12-9-13(12)15(20)19-10-17(16(21)22)5-7-23-8-6-17/h1-4,12-13H,5-10H2,(H,19,20)(H,21,22)
InChIKeyQPQLNERNYJDXBW-UHFFFAOYSA-N
XLogP2.44
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.80
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]methyl]oxane-4-carboxylic acid with MolForge

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Related Compounds

4-[(3,4-dihydro-1H-isochromene-1-carbonylamino)methyl]oxane-4-carboxylic acid
CID 120541706
4-[[[2-[4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]methyl]oxane-4-carboxylic acid
CID 120543133
N-benzyl-2-(2-chlorophenyl)cyclopropane-1-carboxamide
CID 51291733
4-[[[4-(2-chlorophenyl)oxane-4-carbonyl]amino]methyl]oxane-4-carboxylic acid
CID 120542025
4-[(3,4-dihydro-2H-chromene-4-carbonylamino)methyl]oxane-4-carboxylic acid
CID 120542145
2-(2-chlorophenyl)-N-(2-hydroxy-3-morpholin-4-ylpropyl)cyclopropane-1-carboxamide
CID 110887213
3-[[(1S,2S)-2-(2-chlorophenyl)cyclopropanecarbonyl]amino]-2,2-dimethylpropanoic acid
CID 97324672
4-[[[2-(2-chlorophenoxy)acetyl]amino]methyl]oxane-4-carboxylic acid
CID 120541780
cis-(1R,2S)-2-(2-chlorophenyl)-N-(2,3-dihydro-1,4-dioxin-5-ylmethyl)cyclopropane-1-carboxamide
CID 95781314
4-[[(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]methyl]oxane-4-carboxylic acid
CID 120542491
4-[[2-(2-chlorophenyl)sulfanylpropanoylamino]methyl]oxane-4-carboxylic acid
CID 120541875
5-[[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]methyl]thiophene-2-carboxylic acid
CID 122110269

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]methyl]oxane-4-carboxylic acid?
The IUPAC name of 4-[[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]methyl]oxane-4-carboxylic acid (CID 120542776) is 4-[[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]methyl]oxane-4-carboxylic acid.
What is the SMILES notation for 4-[[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]methyl]oxane-4-carboxylic acid?
The canonical SMILES for 4-[[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]methyl]oxane-4-carboxylic acid is O=C(NCC1(C(=O)O)CCOCC1)C1CC1c1ccccc1Cl.
What is the InChIKey of 4-[[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]methyl]oxane-4-carboxylic acid?
The InChIKey is QPQLNERNYJDXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO4/c18-14-4-2-1-3-11(14)12-9-13(12)15(20)19-10-17(16(21)22)5-7-23-8-6-17/h1-4,12-13H,5-10H2,(H,19,20)(H,21,22).
What are the key properties of 4-[[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]methyl]oxane-4-carboxylic acid?
4-[[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]methyl]oxane-4-carboxylic acid has a molecular weight of 337.80 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]methyl]oxane-4-carboxylic acid is sourced from PubChem (CID 120542776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).