2-(cyclopropylamino)-2-(4-hydroxyphenyl)propanoic acid

C12H15NO3 — CID 43754473

IUPAC2-(cyclopropylamino)-2-(4-hydroxyphenyl)propanoic acid
SMILESCC(NC1CC1)(C(=O)O)c1ccc(O)cc1
InChIInChI=1S/C12H15NO3/c1-12(11(15)16,13-9-4-5-9)8-2-6-10(14)7-3-8/h2-3,6-7,9,13-14H,4-5H2,1H3,(H,15,16)
InChIKeyOFFGDTARWSJTOY-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.44
Rot. Bonds4

About 2-(cyclopropylamino)-2-(4-hydroxyphenyl)propanoic acid

2-(cyclopropylamino)-2-(4-hydroxyphenyl)propanoic acid (PubChem CID 43754473) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-(cyclopropylamino)-2-(4-hydroxyphenyl)propanoic acid.

Molecular Properties

Compound Name2-(cyclopropylamino)-2-(4-hydroxyphenyl)propanoic acid
PubChem CID43754473
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name2-(cyclopropylamino)-2-(4-hydroxyphenyl)propanoic acid
SMILESCC(NC1CC1)(C(=O)O)c1ccc(O)cc1
InChIInChI=1S/C12H15NO3/c1-12(11(15)16,13-9-4-5-9)8-2-6-10(14)7-3-8/h2-3,6-7,9,13-14H,4-5H2,1H3,(H,15,16)
InChIKeyOFFGDTARWSJTOY-UHFFFAOYSA-N
XLogP1.44
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-(cyclopropylamino)-2-(4-hydroxyphenyl)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-(4-chlorophenyl)-2-(cyclopropylamino)propanoic acid
CID 43754458
2-(cyclopentylamino)-2-(4-hydroxyphenyl)propanamide
CID 54894194
2-(4-hydroxyphenyl)-2-(methylamino)propanoic acid
CID 43753640
2-(cyclohexylamino)-2-(3,5-dihydroxyphenyl)propanoic acid
CID 107707552
2-(cycloheptylamino)-2-(4-methylsulfanylphenyl)propanoic acid
CID 60997964
2-(1,3-benzodioxol-5-yl)-2-(cyclopropylamino)propanoic acid
CID 43754410
2-(4-tert-butylphenyl)-2-(cyclopropylamino)propanamide
CID 60795288
2-(cyclopropylamino)-2-(3-fluoro-4-methoxyphenyl)propanoic acid
CID 43754500
2-(cyclopentylamino)-2-[4-(2-methylpropyl)phenyl]propanoic acid
CID 61002706
2-(cyclopentylamino)-2-[4-(difluoromethoxy)phenyl]propanoic acid
CID 60997541
2-(4-hydroxyphenyl)-2-(propan-2-ylamino)propanoic acid
CID 43754261
2-hydroxy-2-(4-hydroxyphenyl)propanoic acid
CID 22056978

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-2-(4-hydroxyphenyl)propanoic acid?
The IUPAC name of 2-(cyclopropylamino)-2-(4-hydroxyphenyl)propanoic acid (CID 43754473) is 2-(cyclopropylamino)-2-(4-hydroxyphenyl)propanoic acid.
What is the SMILES notation for 2-(cyclopropylamino)-2-(4-hydroxyphenyl)propanoic acid?
The canonical SMILES for 2-(cyclopropylamino)-2-(4-hydroxyphenyl)propanoic acid is CC(NC1CC1)(C(=O)O)c1ccc(O)cc1.
What is the InChIKey of 2-(cyclopropylamino)-2-(4-hydroxyphenyl)propanoic acid?
The InChIKey is OFFGDTARWSJTOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-12(11(15)16,13-9-4-5-9)8-2-6-10(14)7-3-8/h2-3,6-7,9,13-14H,4-5H2,1H3,(H,15,16).
What are the key properties of 2-(cyclopropylamino)-2-(4-hydroxyphenyl)propanoic acid?
2-(cyclopropylamino)-2-(4-hydroxyphenyl)propanoic acid has a molecular weight of 221.26 g/mol, XLogP of 1.44, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-2-(4-hydroxyphenyl)propanoic acid is sourced from PubChem (CID 43754473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).