3-[4-[[1-(2-methoxyethyl)cyclopropanecarbonyl]amino]phenyl]-2-methylpropanoic acid

C17H23NO4 — CID 120541290

IUPAC3-[4-[[1-(2-methoxyethyl)cyclopropanecarbonyl]amino]phenyl]-2-methylpropanoic acid
SMILESCOCCC1(C(=O)Nc2ccc(CC(C)C(=O)O)cc2)CC1
InChIInChI=1S/C17H23NO4/c1-12(15(19)20)11-13-3-5-14(6-4-13)18-16(21)17(7-8-17)9-10-22-2/h3-6,12H,7-11H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyZZNVABOPHCLXFO-UHFFFAOYSA-N
MW305.37 g/mol
LogP2.70
Rot. Bonds8

About 3-[4-[[1-(2-methoxyethyl)cyclopropanecarbonyl]amino]phenyl]-2-methylpropanoic acid

3-[4-[[1-(2-methoxyethyl)cyclopropanecarbonyl]amino]phenyl]-2-methylpropanoic acid (PubChem CID 120541290) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is 3-[4-[[1-(2-methoxyethyl)cyclopropanecarbonyl]amino]phenyl]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[4-[[1-(2-methoxyethyl)cyclopropanecarbonyl]amino]phenyl]-2-methylpropanoic acid
PubChem CID120541290
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Name3-[4-[[1-(2-methoxyethyl)cyclopropanecarbonyl]amino]phenyl]-2-methylpropanoic acid
SMILESCOCCC1(C(=O)Nc2ccc(CC(C)C(=O)O)cc2)CC1
InChIInChI=1S/C17H23NO4/c1-12(15(19)20)11-13-3-5-14(6-4-13)18-16(21)17(7-8-17)9-10-22-2/h3-6,12H,7-11H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyZZNVABOPHCLXFO-UHFFFAOYSA-N
XLogP2.70
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-[(1-ethylcyclopentanecarbonyl)amino]phenyl]-2-methylpropanoic acid
CID 120541391
3-[4-(3-methoxypropanoylamino)phenyl]-2-methylpropanoic acid
CID 120541337
3-[4-[[5-(methoxymethyl)furan-2-carbonyl]amino]phenyl]-2-methylpropanoic acid
CID 120541443
3-[4-[(2,2-dimethylcyclopropanecarbonyl)amino]phenyl]-2-methylpropanoic acid
CID 120541168
2-methyl-3-[4-(prop-1-en-2-ylamino)phenyl]propanoic acid
CID 154659493
3-[4-(3-methoxypropyl)phenyl]-2-methylpropanoic acid
CID 115112833
(2R)-2-[[1-(2-methoxyethyl)cyclopropanecarbonyl]amino]propanoic acid
CID 120526982
1-(aminomethyl)-N-[4-(2-methylpropyl)phenyl]cyclopropane-1-carboxamide
CID 115182510
3-[4-(2,3-dimethylpentanoylamino)phenyl]-2-methylpropanoic acid
CID 120541285
3-[4-[(2-chloro-5-cyanobenzoyl)amino]phenyl]-2-[[1-(2-methoxyethyl)cyclopentanecarbonyl]amino]propanoic acid
CID 22660233
3-[4-[(1-benzoyl-2-methylpyrrolidine-2-carbonyl)amino]phenyl]-2-methylpropanoic acid
CID 120540910
3-[4-(2-butoxypropanoylamino)phenyl]-2-methylpropanoic acid
CID 120541015

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[1-(2-methoxyethyl)cyclopropanecarbonyl]amino]phenyl]-2-methylpropanoic acid?
The IUPAC name of 3-[4-[[1-(2-methoxyethyl)cyclopropanecarbonyl]amino]phenyl]-2-methylpropanoic acid (CID 120541290) is 3-[4-[[1-(2-methoxyethyl)cyclopropanecarbonyl]amino]phenyl]-2-methylpropanoic acid.
What is the SMILES notation for 3-[4-[[1-(2-methoxyethyl)cyclopropanecarbonyl]amino]phenyl]-2-methylpropanoic acid?
The canonical SMILES for 3-[4-[[1-(2-methoxyethyl)cyclopropanecarbonyl]amino]phenyl]-2-methylpropanoic acid is COCCC1(C(=O)Nc2ccc(CC(C)C(=O)O)cc2)CC1.
What is the InChIKey of 3-[4-[[1-(2-methoxyethyl)cyclopropanecarbonyl]amino]phenyl]-2-methylpropanoic acid?
The InChIKey is ZZNVABOPHCLXFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO4/c1-12(15(19)20)11-13-3-5-14(6-4-13)18-16(21)17(7-8-17)9-10-22-2/h3-6,12H,7-11H2,1-2H3,(H,18,21)(H,19,20).
What are the key properties of 3-[4-[[1-(2-methoxyethyl)cyclopropanecarbonyl]amino]phenyl]-2-methylpropanoic acid?
3-[4-[[1-(2-methoxyethyl)cyclopropanecarbonyl]amino]phenyl]-2-methylpropanoic acid has a molecular weight of 305.37 g/mol, XLogP of 2.70, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[1-(2-methoxyethyl)cyclopropanecarbonyl]amino]phenyl]-2-methylpropanoic acid is sourced from PubChem (CID 120541290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).