4-amino-4-[2-[1-(methoxymethyl)cyclopropyl]phenyl]butanoic acid

C15H21NO3 — CID 117115970

IUPAC4-amino-4-[2-[1-(methoxymethyl)cyclopropyl]phenyl]butanoic acid
SMILESCOCC1(c2ccccc2C(N)CCC(=O)O)CC1
InChIInChI=1S/C15H21NO3/c1-19-10-15(8-9-15)12-5-3-2-4-11(12)13(16)6-7-14(17)18/h2-5,13H,6-10,16H2,1H3,(H,17,18)
InChIKeyKURYPHCGESVVAU-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.23
Rot. Bonds7

About 4-amino-4-[2-[1-(methoxymethyl)cyclopropyl]phenyl]butanoic acid

4-amino-4-[2-[1-(methoxymethyl)cyclopropyl]phenyl]butanoic acid (PubChem CID 117115970) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-amino-4-[2-[1-(methoxymethyl)cyclopropyl]phenyl]butanoic acid.

Molecular Properties

Compound Name4-amino-4-[2-[1-(methoxymethyl)cyclopropyl]phenyl]butanoic acid
PubChem CID117115970
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name4-amino-4-[2-[1-(methoxymethyl)cyclopropyl]phenyl]butanoic acid
SMILESCOCC1(c2ccccc2C(N)CCC(=O)O)CC1
InChIInChI=1S/C15H21NO3/c1-19-10-15(8-9-15)12-5-3-2-4-11(12)13(16)6-7-14(17)18/h2-5,13H,6-10,16H2,1H3,(H,17,18)
InChIKeyKURYPHCGESVVAU-UHFFFAOYSA-N
XLogP2.23
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-amino-4-[2-[1-(methoxymethyl)cyclopropyl]phenyl]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-[1-(methoxymethyl)cyclopropyl]phenyl]propanoic acid
CID 117114855
1-[2-[1-(methoxymethyl)cyclopropyl]phenyl]cyclopentane-1-carboxylic acid
CID 117114147
4-amino-4-[2-(2-methoxypropan-2-yl)phenyl]butanoic acid
CID 117115917
4-amino-4-(2-aminophenyl)butanoic acid
CID 55297082
4-amino-4-[2-(difluoromethoxy)phenyl]butanoic acid
CID 117364212
4-amino-4-(2-methoxy-5-propan-2-ylphenyl)butanoic acid
CID 112511871
4-amino-4-[2-(4-methylcyclohexyl)phenyl]butanoic acid
CID 117440873
4-amino-4-(2,4,5-trimethoxyphenyl)butanoic acid
CID 115005610
3-amino-2-[2-[1-(hydroxymethyl)cyclopropyl]phenyl]propanoic acid
CID 117116213
4-amino-4-(2,4-difluoro-3-methoxyphenyl)butanoic acid
CID 117364223
1-[2-[1-(methoxymethyl)cyclopropyl]phenyl]-2-(methylamino)ethanone
CID 117108293
4-amino-4-[2-(1,1-dioxothietan-3-yl)oxyphenyl]butanoic acid
CID 117482244

Frequently Asked Questions

What is the IUPAC name of 4-amino-4-[2-[1-(methoxymethyl)cyclopropyl]phenyl]butanoic acid?
The IUPAC name of 4-amino-4-[2-[1-(methoxymethyl)cyclopropyl]phenyl]butanoic acid (CID 117115970) is 4-amino-4-[2-[1-(methoxymethyl)cyclopropyl]phenyl]butanoic acid.
What is the SMILES notation for 4-amino-4-[2-[1-(methoxymethyl)cyclopropyl]phenyl]butanoic acid?
The canonical SMILES for 4-amino-4-[2-[1-(methoxymethyl)cyclopropyl]phenyl]butanoic acid is COCC1(c2ccccc2C(N)CCC(=O)O)CC1.
What is the InChIKey of 4-amino-4-[2-[1-(methoxymethyl)cyclopropyl]phenyl]butanoic acid?
The InChIKey is KURYPHCGESVVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-19-10-15(8-9-15)12-5-3-2-4-11(12)13(16)6-7-14(17)18/h2-5,13H,6-10,16H2,1H3,(H,17,18).
What are the key properties of 4-amino-4-[2-[1-(methoxymethyl)cyclopropyl]phenyl]butanoic acid?
4-amino-4-[2-[1-(methoxymethyl)cyclopropyl]phenyl]butanoic acid has a molecular weight of 263.34 g/mol, XLogP of 2.23, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-[2-[1-(methoxymethyl)cyclopropyl]phenyl]butanoic acid is sourced from PubChem (CID 117115970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).