3-[cyclopropyl-[1-(4-hydroxy-3-methoxyphenyl)ethyl]amino]propanoic acid

C15H21NO4 — CID 65059099

IUPAC3-[cyclopropyl-[1-(4-hydroxy-3-methoxyphenyl)ethyl]amino]propanoic acid
SMILESCOc1cc(C(C)N(CCC(=O)O)C2CC2)ccc1O
InChIInChI=1S/C15H21NO4/c1-10(11-3-6-13(17)14(9-11)20-2)16(12-4-5-12)8-7-15(18)19/h3,6,9-10,12,17H,4-5,7-8H2,1-2H3,(H,18,19)
InChIKeySPUAGGWRNKSTFL-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.40
Rot. Bonds7

About 3-[cyclopropyl-[1-(4-hydroxy-3-methoxyphenyl)ethyl]amino]propanoic acid

3-[cyclopropyl-[1-(4-hydroxy-3-methoxyphenyl)ethyl]amino]propanoic acid (PubChem CID 65059099) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-[cyclopropyl-[1-(4-hydroxy-3-methoxyphenyl)ethyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl-[1-(4-hydroxy-3-methoxyphenyl)ethyl]amino]propanoic acid
PubChem CID65059099
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name3-[cyclopropyl-[1-(4-hydroxy-3-methoxyphenyl)ethyl]amino]propanoic acid
SMILESCOc1cc(C(C)N(CCC(=O)O)C2CC2)ccc1O
InChIInChI=1S/C15H21NO4/c1-10(11-3-6-13(17)14(9-11)20-2)16(12-4-5-12)8-7-15(18)19/h3,6,9-10,12,17H,4-5,7-8H2,1-2H3,(H,18,19)
InChIKeySPUAGGWRNKSTFL-UHFFFAOYSA-N
XLogP2.40
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[cyclopropyl-[1-(4-hydroxy-3-methoxyphenyl)ethyl]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

2-[cyclopentyl-[1-(4-hydroxy-3-methoxyphenyl)ethyl]amino]acetic acid
CID 65058654
3-[cyclopropyl-[1-(4-methylphenyl)ethyl]amino]propanoic acid
CID 65054486
3-[cyclopropyl-[1-(2,5-dihydroxyphenyl)ethyl]amino]propanoic acid
CID 65055025
3-[1-(3,4-dimethoxyphenyl)ethyl-methylamino]propanoic acid
CID 2902334
2-[1-(4-hydroxy-3-methoxyphenyl)ethyl-(2-methoxyethyl)amino]acetic acid
CID 65067506
2-[cyclopentyl-[1-(3-fluoro-4-methoxyphenyl)ethyl]amino]acetic acid
CID 65058595
4-amino-4-(4-hydroxy-3-methoxyphenyl)butanoic acid
CID 165346911
3-[cyclopropyl-[1-(2-ethoxyphenyl)ethyl]amino]propanoic acid
CID 65059340
4-[1-[(1,1-dioxothiolan-3-yl)-methylamino]ethyl]-2-methoxyphenol
CID 82982632
N-ethyl-2-[1-(4-hydroxy-3-methoxyphenyl)ethyl-methylamino]acetamide
CID 82978392
4-[1-[bis(2-methylpropyl)amino]ethyl]-2-methoxyphenol
CID 82981648
2-methoxy-4-[1-[methyl-(3-methylcyclohexyl)amino]ethyl]phenol
CID 82982306

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-[1-(4-hydroxy-3-methoxyphenyl)ethyl]amino]propanoic acid?
The IUPAC name of 3-[cyclopropyl-[1-(4-hydroxy-3-methoxyphenyl)ethyl]amino]propanoic acid (CID 65059099) is 3-[cyclopropyl-[1-(4-hydroxy-3-methoxyphenyl)ethyl]amino]propanoic acid.
What is the SMILES notation for 3-[cyclopropyl-[1-(4-hydroxy-3-methoxyphenyl)ethyl]amino]propanoic acid?
The canonical SMILES for 3-[cyclopropyl-[1-(4-hydroxy-3-methoxyphenyl)ethyl]amino]propanoic acid is COc1cc(C(C)N(CCC(=O)O)C2CC2)ccc1O.
What is the InChIKey of 3-[cyclopropyl-[1-(4-hydroxy-3-methoxyphenyl)ethyl]amino]propanoic acid?
The InChIKey is SPUAGGWRNKSTFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-10(11-3-6-13(17)14(9-11)20-2)16(12-4-5-12)8-7-15(18)19/h3,6,9-10,12,17H,4-5,7-8H2,1-2H3,(H,18,19).
What are the key properties of 3-[cyclopropyl-[1-(4-hydroxy-3-methoxyphenyl)ethyl]amino]propanoic acid?
3-[cyclopropyl-[1-(4-hydroxy-3-methoxyphenyl)ethyl]amino]propanoic acid has a molecular weight of 279.34 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-[1-(4-hydroxy-3-methoxyphenyl)ethyl]amino]propanoic acid is sourced from PubChem (CID 65059099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).