3-[cyclopropyl-[(3-hydroxyphenyl)methyl]amino]propanoic acid

C13H17NO3 — CID 65054828

IUPAC3-[cyclopropyl-[(3-hydroxyphenyl)methyl]amino]propanoic acid
SMILESO=C(O)CCN(Cc1cccc(O)c1)C1CC1
InChIInChI=1S/C13H17NO3/c15-12-3-1-2-10(8-12)9-14(11-4-5-11)7-6-13(16)17/h1-3,8,11,15H,4-7,9H2,(H,16,17)
InChIKeyHZPQWHGARADCEY-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.83
Rot. Bonds6

About 3-[cyclopropyl-[(3-hydroxyphenyl)methyl]amino]propanoic acid

3-[cyclopropyl-[(3-hydroxyphenyl)methyl]amino]propanoic acid (PubChem CID 65054828) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 3-[cyclopropyl-[(3-hydroxyphenyl)methyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl-[(3-hydroxyphenyl)methyl]amino]propanoic acid
PubChem CID65054828
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name3-[cyclopropyl-[(3-hydroxyphenyl)methyl]amino]propanoic acid
SMILESO=C(O)CCN(Cc1cccc(O)c1)C1CC1
InChIInChI=1S/C13H17NO3/c15-12-3-1-2-10(8-12)9-14(11-4-5-11)7-6-13(16)17/h1-3,8,11,15H,4-7,9H2,(H,16,17)
InChIKeyHZPQWHGARADCEY-UHFFFAOYSA-N
XLogP1.83
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[cyclopropyl-[(3-hydroxyphenyl)methyl]amino]propanoic 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-carboxyethyl(cyclopropyl)amino]methyl]benzoic acid
CID 82327896
3-[cyclopropyl(thiophen-3-ylmethyl)amino]propanoic acid
CID 60838165
3-[benzyl(cyclohexyl)amino]propanoic acid
CID 82327522
3-[[cyclobutyl(2-hydroxyethyl)amino]methyl]phenol
CID 102679360
3-[cyclopropyl-[(2,4-dihydroxyphenyl)methyl]amino]propanoic acid
CID 65054781
3-[[cyclopropyl(2-ethoxyethyl)amino]methyl]phenol
CID 56795293
3-[cyclopropyl-[(3,5-dimethylphenyl)methyl]amino]propanoic acid
CID 60839372
3-[[(4-hydroxycyclohexyl)-(5-hydroxypentyl)amino]methyl]phenol
CID 111434933
N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]benzamide
CID 64592060
3-[(4-carbamoylphenyl)methyl-cyclopropylamino]propanoic acid
CID 60840216
3-[cyclopropyl(3-phenylpropyl)amino]propanoic acid
CID 60838690
3-[cyclopropyl-[(2-ethylphenyl)methyl]amino]propanoic acid
CID 65054443

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-[(3-hydroxyphenyl)methyl]amino]propanoic acid?
The IUPAC name of 3-[cyclopropyl-[(3-hydroxyphenyl)methyl]amino]propanoic acid (CID 65054828) is 3-[cyclopropyl-[(3-hydroxyphenyl)methyl]amino]propanoic acid.
What is the SMILES notation for 3-[cyclopropyl-[(3-hydroxyphenyl)methyl]amino]propanoic acid?
The canonical SMILES for 3-[cyclopropyl-[(3-hydroxyphenyl)methyl]amino]propanoic acid is O=C(O)CCN(Cc1cccc(O)c1)C1CC1.
What is the InChIKey of 3-[cyclopropyl-[(3-hydroxyphenyl)methyl]amino]propanoic acid?
The InChIKey is HZPQWHGARADCEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c15-12-3-1-2-10(8-12)9-14(11-4-5-11)7-6-13(16)17/h1-3,8,11,15H,4-7,9H2,(H,16,17).
What are the key properties of 3-[cyclopropyl-[(3-hydroxyphenyl)methyl]amino]propanoic acid?
3-[cyclopropyl-[(3-hydroxyphenyl)methyl]amino]propanoic acid has a molecular weight of 235.28 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-[(3-hydroxyphenyl)methyl]amino]propanoic acid is sourced from PubChem (CID 65054828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).