2-amino-3-hydroxy-N-[2-(6-methyl-1,3-benzodioxol-5-yl)ethyl]propanamide

C13H18N2O4 — CID 115180111

IUPAC2-amino-3-hydroxy-N-[2-(6-methyl-1,3-benzodioxol-5-yl)ethyl]propanamide
SMILESCc1cc2c(cc1CCNC(=O)C(N)CO)OCO2
InChIInChI=1S/C13H18N2O4/c1-8-4-11-12(19-7-18-11)5-9(8)2-3-15-13(17)10(14)6-16/h4-5,10,16H,2-3,6-7,14H2,1H3,(H,15,17)
InChIKeyUDFRWDDVZIJNPY-UHFFFAOYSA-N
MW266.30 g/mol
LogP-0.30
Rot. Bonds5

About 2-amino-3-hydroxy-N-[2-(6-methyl-1,3-benzodioxol-5-yl)ethyl]propanamide

2-amino-3-hydroxy-N-[2-(6-methyl-1,3-benzodioxol-5-yl)ethyl]propanamide (PubChem CID 115180111) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-amino-3-hydroxy-N-[2-(6-methyl-1,3-benzodioxol-5-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-amino-3-hydroxy-N-[2-(6-methyl-1,3-benzodioxol-5-yl)ethyl]propanamide
PubChem CID115180111
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name2-amino-3-hydroxy-N-[2-(6-methyl-1,3-benzodioxol-5-yl)ethyl]propanamide
SMILESCc1cc2c(cc1CCNC(=O)C(N)CO)OCO2
InChIInChI=1S/C13H18N2O4/c1-8-4-11-12(19-7-18-11)5-9(8)2-3-15-13(17)10(14)6-16/h4-5,10,16H,2-3,6-7,14H2,1H3,(H,15,17)
InChIKeyUDFRWDDVZIJNPY-UHFFFAOYSA-N
XLogP-0.30
TPSA93.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-amino-3-hydroxy-N-[2-(6-methyl-1,3-benzodioxol-5-yl)ethyl]propanamide 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

N-[2-(6-methyl-1,3-benzodioxol-5-yl)ethyl]acetamide
CID 115191234
methyl N-[2-(6-methyl-1,3-benzodioxol-5-yl)ethyl]carbamate
CID 115190728
2-amino-2-methyl-N-[2-(6-methyl-1,3-benzodioxol-5-yl)ethyl]propanamide
CID 115152763
2-amino-3-hydroxy-N-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]propanamide
CID 115180083
3-methyl-N-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]butanamide
CID 110789828
1-cyano-N-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]formamide
CID 115172520
3-amino-2-hydroxy-N-[(6-methyl-1,3-benzodioxol-5-yl)methyl]propanamide
CID 115180595
4-amino-N-[(6-methyl-1,3-benzodioxol-5-yl)methyl]pentanamide
CID 115156732
2-methyl-4-(6-methyl-1,3-benzodioxol-5-yl)butanoic acid
CID 116926956
3-methyl-3-[2-(6-methyl-1,3-benzodioxol-5-yl)ethylamino]butan-1-ol
CID 115134282
(2R)-2-amino-N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-3-hydroxypropanamide
CID 129077537
3-[2-(6-methyl-1,3-benzodioxol-5-yl)ethylamino]propanenitrile
CID 115231159

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-hydroxy-N-[2-(6-methyl-1,3-benzodioxol-5-yl)ethyl]propanamide?
The IUPAC name of 2-amino-3-hydroxy-N-[2-(6-methyl-1,3-benzodioxol-5-yl)ethyl]propanamide (CID 115180111) is 2-amino-3-hydroxy-N-[2-(6-methyl-1,3-benzodioxol-5-yl)ethyl]propanamide.
What is the SMILES notation for 2-amino-3-hydroxy-N-[2-(6-methyl-1,3-benzodioxol-5-yl)ethyl]propanamide?
The canonical SMILES for 2-amino-3-hydroxy-N-[2-(6-methyl-1,3-benzodioxol-5-yl)ethyl]propanamide is Cc1cc2c(cc1CCNC(=O)C(N)CO)OCO2.
What is the InChIKey of 2-amino-3-hydroxy-N-[2-(6-methyl-1,3-benzodioxol-5-yl)ethyl]propanamide?
The InChIKey is UDFRWDDVZIJNPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-8-4-11-12(19-7-18-11)5-9(8)2-3-15-13(17)10(14)6-16/h4-5,10,16H,2-3,6-7,14H2,1H3,(H,15,17).
What are the key properties of 2-amino-3-hydroxy-N-[2-(6-methyl-1,3-benzodioxol-5-yl)ethyl]propanamide?
2-amino-3-hydroxy-N-[2-(6-methyl-1,3-benzodioxol-5-yl)ethyl]propanamide has a molecular weight of 266.30 g/mol, XLogP of -0.30, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-hydroxy-N-[2-(6-methyl-1,3-benzodioxol-5-yl)ethyl]propanamide is sourced from PubChem (CID 115180111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).