2-[[3-ethoxy-4-(4-hydroxypiperidin-1-yl)phenyl]methylamino]acetic acid

C16H24N2O4 — CID 84749928

IUPAC2-[[3-ethoxy-4-(4-hydroxypiperidin-1-yl)phenyl]methylamino]acetic acid
SMILESCCOc1cc(CNCC(=O)O)ccc1N1CCC(O)CC1
InChIInChI=1S/C16H24N2O4/c1-2-22-15-9-12(10-17-11-16(20)21)3-4-14(15)18-7-5-13(19)6-8-18/h3-4,9,13,17,19H,2,5-8,10-11H2,1H3,(H,20,21)
InChIKeyLBZJTZUCCXAZSI-UHFFFAOYSA-N
MW308.38 g/mol
LogP1.22
Rot. Bonds7

About 2-[[3-ethoxy-4-(4-hydroxypiperidin-1-yl)phenyl]methylamino]acetic acid

2-[[3-ethoxy-4-(4-hydroxypiperidin-1-yl)phenyl]methylamino]acetic acid (PubChem CID 84749928) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-[[3-ethoxy-4-(4-hydroxypiperidin-1-yl)phenyl]methylamino]acetic acid.

Molecular Properties

Compound Name2-[[3-ethoxy-4-(4-hydroxypiperidin-1-yl)phenyl]methylamino]acetic acid
PubChem CID84749928
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC Name2-[[3-ethoxy-4-(4-hydroxypiperidin-1-yl)phenyl]methylamino]acetic acid
SMILESCCOc1cc(CNCC(=O)O)ccc1N1CCC(O)CC1
InChIInChI=1S/C16H24N2O4/c1-2-22-15-9-12(10-17-11-16(20)21)3-4-14(15)18-7-5-13(19)6-8-18/h3-4,9,13,17,19H,2,5-8,10-11H2,1H3,(H,20,21)
InChIKeyLBZJTZUCCXAZSI-UHFFFAOYSA-N
XLogP1.22
TPSA82.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

Analyze 2-[[3-ethoxy-4-(4-hydroxypiperidin-1-yl)phenyl]methylamino]acetic 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

1-[2-ethoxy-4-(propylaminomethyl)phenyl]piperidin-4-ol
CID 84749929
3-[[4-(4-hydroxypiperidin-1-yl)-3-methoxyphenyl]methylamino]propanoic acid
CID 84754745
1-[4-[(3-hydroxypropylamino)methyl]-2-methoxyphenyl]piperidin-4-ol
CID 84754739
1-[4-[[2-(dimethylamino)ethylamino]methyl]-2-methoxyphenyl]piperidin-4-ol
CID 84747778
2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]acetic acid
CID 43247472
N-[[4-(1,4-diazepan-1-yl)-3-ethoxyphenyl]methyl]ethanamine
CID 84749782
1-[2-methoxy-4-[(propan-2-ylamino)methyl]phenyl]piperidin-4-ol
CID 84754741
1-[2-propan-2-yloxy-4-[(prop-2-enylamino)methyl]phenyl]piperidin-4-ol
CID 84750679
N-[(3-ethoxy-4-piperidin-1-ylphenyl)methyl]-2-methoxyethanamine
CID 84749663
N-[[3-ethoxy-4-(4-methylpiperazin-1-yl)phenyl]methyl]-2-methylpropan-1-amine
CID 84749252
N-[(3-ethoxy-4-morpholin-4-ylphenyl)methyl]-2-methylpropan-1-amine
CID 84749500
2-[[4-[butyl(ethyl)amino]-3-ethoxyphenyl]methylamino]acetic acid
CID 84748733

Frequently Asked Questions

What is the IUPAC name of 2-[[3-ethoxy-4-(4-hydroxypiperidin-1-yl)phenyl]methylamino]acetic acid?
The IUPAC name of 2-[[3-ethoxy-4-(4-hydroxypiperidin-1-yl)phenyl]methylamino]acetic acid (CID 84749928) is 2-[[3-ethoxy-4-(4-hydroxypiperidin-1-yl)phenyl]methylamino]acetic acid.
What is the SMILES notation for 2-[[3-ethoxy-4-(4-hydroxypiperidin-1-yl)phenyl]methylamino]acetic acid?
The canonical SMILES for 2-[[3-ethoxy-4-(4-hydroxypiperidin-1-yl)phenyl]methylamino]acetic acid is CCOc1cc(CNCC(=O)O)ccc1N1CCC(O)CC1.
What is the InChIKey of 2-[[3-ethoxy-4-(4-hydroxypiperidin-1-yl)phenyl]methylamino]acetic acid?
The InChIKey is LBZJTZUCCXAZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-2-22-15-9-12(10-17-11-16(20)21)3-4-14(15)18-7-5-13(19)6-8-18/h3-4,9,13,17,19H,2,5-8,10-11H2,1H3,(H,20,21).
What are the key properties of 2-[[3-ethoxy-4-(4-hydroxypiperidin-1-yl)phenyl]methylamino]acetic acid?
2-[[3-ethoxy-4-(4-hydroxypiperidin-1-yl)phenyl]methylamino]acetic acid has a molecular weight of 308.38 g/mol, XLogP of 1.22, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-ethoxy-4-(4-hydroxypiperidin-1-yl)phenyl]methylamino]acetic acid is sourced from PubChem (CID 84749928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).