3-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]-2,2-dimethylpropanoic acid

C17H22N2O5 — CID 119249671

IUPAC3-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]-2,2-dimethylpropanoic acid
SMILESCC(C)(CNC(=O)COc1cccc(NC(=O)C2CC2)c1)C(=O)O
InChIInChI=1S/C17H22N2O5/c1-17(2,16(22)23)10-18-14(20)9-24-13-5-3-4-12(8-13)19-15(21)11-6-7-11/h3-5,8,11H,6-7,9-10H2,1-2H3,(H,18,20)(H,19,21)(H,22,23)
InChIKeyBZJSRPUCOSVBQU-UHFFFAOYSA-N
MW334.37 g/mol
LogP1.64
Rot. Bonds8

About 3-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]-2,2-dimethylpropanoic acid

3-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]-2,2-dimethylpropanoic acid (PubChem CID 119249671) has the molecular formula C17H22N2O5 and a molecular weight of 334.37 g/mol. Its IUPAC name is 3-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]-2,2-dimethylpropanoic acid
PubChem CID119249671
Molecular FormulaC17H22N2O5
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC Name3-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]-2,2-dimethylpropanoic acid
SMILESCC(C)(CNC(=O)COc1cccc(NC(=O)C2CC2)c1)C(=O)O
InChIInChI=1S/C17H22N2O5/c1-17(2,16(22)23)10-18-14(20)9-24-13-5-3-4-12(8-13)19-15(21)11-6-7-11/h3-5,8,11H,6-7,9-10H2,1-2H3,(H,18,20)(H,19,21)(H,22,23)
InChIKeyBZJSRPUCOSVBQU-UHFFFAOYSA-N
XLogP1.64
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]-2,2-dimethylpropanoic acid with MolForge

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Related Compounds

N-[3-[2-[(3-methyl-2-phenylbutyl)amino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 46433039
N-[3-[2-(2,2-diphenylethylamino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 55616709
N-[3-(2-hydroxy-2-methylpropoxy)phenyl]cyclopropanecarboxamide
CID 109416121
N-[3-[2-[3-(methylamino)propylamino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide;hydrochloride
CID 119433438
methyl 2-[3-(cyclopropanecarbonylamino)phenoxy]acetate
CID 47170141
N-[3-[2-(3-aminobutylamino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 119498857
2-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]-2-phenylbutanoic acid
CID 119201857
1-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]cyclopropane-1-carboxylic acid
CID 75445818
N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 34874597
methyl 4-[[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]methyl]benzoate
CID 46411540
4-[[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]methyl]oxane-4-carboxylic acid
CID 120543056
3-[[2-(3-ethylphenoxy)acetyl]amino]-2,2-dimethylpropanoic acid
CID 115427019

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]-2,2-dimethylpropanoic acid?
The IUPAC name of 3-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]-2,2-dimethylpropanoic acid (CID 119249671) is 3-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]-2,2-dimethylpropanoic acid is CC(C)(CNC(=O)COc1cccc(NC(=O)C2CC2)c1)C(=O)O.
What is the InChIKey of 3-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]-2,2-dimethylpropanoic acid?
The InChIKey is BZJSRPUCOSVBQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O5/c1-17(2,16(22)23)10-18-14(20)9-24-13-5-3-4-12(8-13)19-15(21)11-6-7-11/h3-5,8,11H,6-7,9-10H2,1-2H3,(H,18,20)(H,19,21)(H,22,23).
What are the key properties of 3-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]-2,2-dimethylpropanoic acid?
3-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]-2,2-dimethylpropanoic acid has a molecular weight of 334.37 g/mol, XLogP of 1.64, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]-2,2-dimethylpropanoic acid is sourced from PubChem (CID 119249671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).