[3-amino-1-(4-hydroxyphenyl)butan-2-yl] acetate

C12H17NO3 — CID 66681002

IUPAC[3-amino-1-(4-hydroxyphenyl)butan-2-yl] acetate
SMILESCC(=O)OC(Cc1ccc(O)cc1)C(C)N
InChIInChI=1S/C12H17NO3/c1-8(13)12(16-9(2)14)7-10-3-5-11(15)6-4-10/h3-6,8,12,15H,7,13H2,1-2H3
InChIKeyGHAIBNOLVLIUJG-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.21
Rot. Bonds4

About [3-amino-1-(4-hydroxyphenyl)butan-2-yl] acetate

[3-amino-1-(4-hydroxyphenyl)butan-2-yl] acetate (PubChem CID 66681002) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is [3-amino-1-(4-hydroxyphenyl)butan-2-yl] acetate.

Molecular Properties

Compound Name[3-amino-1-(4-hydroxyphenyl)butan-2-yl] acetate
PubChem CID66681002
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name[3-amino-1-(4-hydroxyphenyl)butan-2-yl] acetate
SMILESCC(=O)OC(Cc1ccc(O)cc1)C(C)N
InChIInChI=1S/C12H17NO3/c1-8(13)12(16-9(2)14)7-10-3-5-11(15)6-4-10/h3-6,8,12,15H,7,13H2,1-2H3
InChIKeyGHAIBNOLVLIUJG-UHFFFAOYSA-N
XLogP1.21
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [3-amino-1-(4-hydroxyphenyl)butan-2-yl] acetate 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

acetyl 2-amino-3-(4-hydroxyphenyl)propanoate
CID 22287971
(2R)-2-amino-1-(4-hydroxyphenyl)-4-methylpentan-3-one
CID 139478348
methyl 2-amino-3-(4-hydroxyphenyl)propanoate
CID 144819630
[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl] 2-methylpropanoate
CID 57233650
[1-(4-hydroxyphenyl)-5-methyl-3-oxohexan-2-yl] acetate
CID 75231791
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;hydrogen peroxide
CID 87135815
2-amino-3-(4-hydroxyphenyl)propanoic acid;λ2-plumbane
CID 175006953
(2R)-2-amino-3-(4-hydroxyphenyl)propanamide
CID 10511575
(2S)-2-amino-3-(4-hydroxy(3,5-13C2)cyclohexa-1,3,5-trien-1-yl)propanoic acid
CID 162642143
bromo (2S)-2-amino-3-(4-hydroxyphenyl)propanoate
CID 56980612
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;methanamine;hydrochloride
CID 70404893
4-(2-aminopropyl)phenol;dihydrobromide
CID 23615767

Frequently Asked Questions

What is the IUPAC name of [3-amino-1-(4-hydroxyphenyl)butan-2-yl] acetate?
The IUPAC name of [3-amino-1-(4-hydroxyphenyl)butan-2-yl] acetate (CID 66681002) is [3-amino-1-(4-hydroxyphenyl)butan-2-yl] acetate.
What is the SMILES notation for [3-amino-1-(4-hydroxyphenyl)butan-2-yl] acetate?
The canonical SMILES for [3-amino-1-(4-hydroxyphenyl)butan-2-yl] acetate is CC(=O)OC(Cc1ccc(O)cc1)C(C)N.
What is the InChIKey of [3-amino-1-(4-hydroxyphenyl)butan-2-yl] acetate?
The InChIKey is GHAIBNOLVLIUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-8(13)12(16-9(2)14)7-10-3-5-11(15)6-4-10/h3-6,8,12,15H,7,13H2,1-2H3.
What are the key properties of [3-amino-1-(4-hydroxyphenyl)butan-2-yl] acetate?
[3-amino-1-(4-hydroxyphenyl)butan-2-yl] acetate has a molecular weight of 223.27 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-1-(4-hydroxyphenyl)butan-2-yl] acetate is sourced from PubChem (CID 66681002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).