4-[[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]methyl]oxane-4-carboxylic acid

C19H24N2O6 — CID 120543056

IUPAC4-[[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]methyl]oxane-4-carboxylic acid
SMILESO=C(COc1cccc(NC(=O)C2CC2)c1)NCC1(C(=O)O)CCOCC1
InChIInChI=1S/C19H24N2O6/c22-16(20-12-19(18(24)25)6-8-26-9-7-19)11-27-15-3-1-2-14(10-15)21-17(23)13-4-5-13/h1-3,10,13H,4-9,11-12H2,(H,20,22)(H,21,23)(H,24,25)
InChIKeyIBKQXKNLMYKQFR-UHFFFAOYSA-N
MW376.41 g/mol
LogP1.41
Rot. Bonds8

About 4-[[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]methyl]oxane-4-carboxylic acid

4-[[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]methyl]oxane-4-carboxylic acid (PubChem CID 120543056) has the molecular formula C19H24N2O6 and a molecular weight of 376.41 g/mol. Its IUPAC name is 4-[[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]methyl]oxane-4-carboxylic acid.

Molecular Properties

Compound Name4-[[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]methyl]oxane-4-carboxylic acid
PubChem CID120543056
Molecular FormulaC19H24N2O6
Molecular Weight376.41 g/mol
Exact Mass376.16
IUPAC Name4-[[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]methyl]oxane-4-carboxylic acid
SMILESO=C(COc1cccc(NC(=O)C2CC2)c1)NCC1(C(=O)O)CCOCC1
InChIInChI=1S/C19H24N2O6/c22-16(20-12-19(18(24)25)6-8-26-9-7-19)11-27-15-3-1-2-14(10-15)21-17(23)13-4-5-13/h1-3,10,13H,4-9,11-12H2,(H,20,22)(H,21,23)(H,24,25)
InChIKeyIBKQXKNLMYKQFR-UHFFFAOYSA-N
XLogP1.41
TPSA113.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]methyl]oxane-4-carboxylic acid with MolForge

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Related Compounds

4-[[[2-(3-acetylphenoxy)acetyl]amino]methyl]oxane-4-carboxylic acid
CID 120541544
1-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]cyclopropane-1-carboxylic acid
CID 75445818
N-[3-[2-[3-(methylamino)propylamino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide;hydrochloride
CID 119433438
4-[[[2-(3,4-dichlorophenoxy)acetyl]amino]methyl]oxane-4-carboxylic acid
CID 120542782
N-[3-[2-(2,2-diphenylethylamino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 55616709
N-[3-[2-[[1-(3-bromophenyl)cyclobutyl]methylamino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 55974338
N-[3-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]phenyl]cyclopropanecarboxamide
CID 46410900
3-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]-2,2-dimethylpropanoic acid
CID 119249671
4-[[[2-(2-chlorophenoxy)acetyl]amino]methyl]oxane-4-carboxylic acid
CID 120541780
4-[[[2-(2,6-dimethylphenoxy)acetyl]amino]methyl]oxane-4-carboxylic acid
CID 120541823
N-[3-[2-[2-(cycloheptylamino)ethylamino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide;hydrochloride
CID 119621061
N-[3-[2-[[2-(4-bromoanilino)-2-oxoethyl]amino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 55880159

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]methyl]oxane-4-carboxylic acid?
The IUPAC name of 4-[[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]methyl]oxane-4-carboxylic acid (CID 120543056) is 4-[[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]methyl]oxane-4-carboxylic acid.
What is the SMILES notation for 4-[[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]methyl]oxane-4-carboxylic acid?
The canonical SMILES for 4-[[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]methyl]oxane-4-carboxylic acid is O=C(COc1cccc(NC(=O)C2CC2)c1)NCC1(C(=O)O)CCOCC1.
What is the InChIKey of 4-[[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]methyl]oxane-4-carboxylic acid?
The InChIKey is IBKQXKNLMYKQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O6/c22-16(20-12-19(18(24)25)6-8-26-9-7-19)11-27-15-3-1-2-14(10-15)21-17(23)13-4-5-13/h1-3,10,13H,4-9,11-12H2,(H,20,22)(H,21,23)(H,24,25).
What are the key properties of 4-[[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]methyl]oxane-4-carboxylic acid?
4-[[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]methyl]oxane-4-carboxylic acid has a molecular weight of 376.41 g/mol, XLogP of 1.41, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]methyl]oxane-4-carboxylic acid is sourced from PubChem (CID 120543056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).