2-[1-(2-hydroxyphenyl)ethyl-propylamino]acetic acid

C13H19NO3 — CID 65064982

IUPAC2-[1-(2-hydroxyphenyl)ethyl-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(C)c1ccccc1O
InChIInChI=1S/C13H19NO3/c1-3-8-14(9-13(16)17)10(2)11-6-4-5-7-12(11)15/h4-7,10,15H,3,8-9H2,1-2H3,(H,16,17)
InChIKeyGPWOSLFCNFHHRS-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.25
Rot. Bonds6

About 2-[1-(2-hydroxyphenyl)ethyl-propylamino]acetic acid

2-[1-(2-hydroxyphenyl)ethyl-propylamino]acetic acid (PubChem CID 65064982) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-[1-(2-hydroxyphenyl)ethyl-propylamino]acetic acid.

Molecular Properties

Compound Name2-[1-(2-hydroxyphenyl)ethyl-propylamino]acetic acid
PubChem CID65064982
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name2-[1-(2-hydroxyphenyl)ethyl-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(C)c1ccccc1O
InChIInChI=1S/C13H19NO3/c1-3-8-14(9-13(16)17)10(2)11-6-4-5-7-12(11)15/h4-7,10,15H,3,8-9H2,1-2H3,(H,16,17)
InChIKeyGPWOSLFCNFHHRS-UHFFFAOYSA-N
XLogP2.25
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[ethyl-[1-(2-hydroxyphenyl)ethyl]amino]acetic acid
CID 65063433
2-[1-(2,3-difluorophenyl)ethyl-propylamino]acetic acid
CID 114059584
2-[1-[2-(dimethylamino)ethyl-propylamino]ethyl]phenol
CID 82978176
2-[(2-amino-2-oxoethyl)-[1-(2-hydroxyphenyl)ethyl]amino]acetamide
CID 82980145
2-[1-(4-bromophenyl)ethyl-propylamino]acetic acid
CID 65064536
2-[pentyl(1-phenylethyl)amino]acetic acid
CID 70551743
2-[carboxymethyl-[(1S)-1-naphthalen-1-ylethyl]amino]acetic acid
CID 118026822
2-[ethyl-[1-(2-hydroxyphenyl)ethyl]amino]-N-methylacetamide
CID 82982515
2-[2-(dimethylamino)ethyl-[1-(2-methoxyphenyl)ethyl]amino]acetic acid
CID 107426423
2-[propyl(1-pyridin-3-ylethyl)amino]acetic acid
CID 65064646
2-[butan-2-yl-[(2-hydroxyphenyl)methyl]amino]acetic acid
CID 65057446
2-[1-(2,6-dihydroxyphenyl)ethyl-[2-(dimethylamino)ethyl]amino]acetic acid
CID 107711650

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-hydroxyphenyl)ethyl-propylamino]acetic acid?
The IUPAC name of 2-[1-(2-hydroxyphenyl)ethyl-propylamino]acetic acid (CID 65064982) is 2-[1-(2-hydroxyphenyl)ethyl-propylamino]acetic acid.
What is the SMILES notation for 2-[1-(2-hydroxyphenyl)ethyl-propylamino]acetic acid?
The canonical SMILES for 2-[1-(2-hydroxyphenyl)ethyl-propylamino]acetic acid is CCCN(CC(=O)O)C(C)c1ccccc1O.
What is the InChIKey of 2-[1-(2-hydroxyphenyl)ethyl-propylamino]acetic acid?
The InChIKey is GPWOSLFCNFHHRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-3-8-14(9-13(16)17)10(2)11-6-4-5-7-12(11)15/h4-7,10,15H,3,8-9H2,1-2H3,(H,16,17).
What are the key properties of 2-[1-(2-hydroxyphenyl)ethyl-propylamino]acetic acid?
2-[1-(2-hydroxyphenyl)ethyl-propylamino]acetic acid has a molecular weight of 237.30 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-hydroxyphenyl)ethyl-propylamino]acetic acid is sourced from PubChem (CID 65064982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).