(2S)-2-amino-N-[(2,3-dimethoxyphenyl)methyl]-3-methoxypropanamide

C13H20N2O4 — CID 83337824

IUPAC(2S)-2-amino-N-[(2,3-dimethoxyphenyl)methyl]-3-methoxypropanamide
SMILESCOC[C@H](N)C(=O)NCc1cccc(OC)c1OC
InChIInChI=1S/C13H20N2O4/c1-17-8-10(14)13(16)15-7-9-5-4-6-11(18-2)12(9)19-3/h4-6,10H,7-8,14H2,1-3H3,(H,15,16)/t10-/m0/s1
InChIKeyBMFRSSHISJICJU-JTQLQIEISA-N
MW268.31 g/mol
LogP0.29
Rot. Bonds7

About (2S)-2-amino-N-[(2,3-dimethoxyphenyl)methyl]-3-methoxypropanamide

(2S)-2-amino-N-[(2,3-dimethoxyphenyl)methyl]-3-methoxypropanamide (PubChem CID 83337824) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is (2S)-2-amino-N-[(2,3-dimethoxyphenyl)methyl]-3-methoxypropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(2,3-dimethoxyphenyl)methyl]-3-methoxypropanamide
PubChem CID83337824
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name(2S)-2-amino-N-[(2,3-dimethoxyphenyl)methyl]-3-methoxypropanamide
SMILESCOC[C@H](N)C(=O)NCc1cccc(OC)c1OC
InChIInChI=1S/C13H20N2O4/c1-17-8-10(14)13(16)15-7-9-5-4-6-11(18-2)12(9)19-3/h4-6,10H,7-8,14H2,1-3H3,(H,15,16)/t10-/m0/s1
InChIKeyBMFRSSHISJICJU-JTQLQIEISA-N
XLogP0.29
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[(2,3-dimethoxyphenyl)methyl]-3-methoxypropanamide;hydrochloride
CID 120985304
(2S)-2-amino-N-[(2,3-dimethoxyphenyl)methyl]butanediamide
CID 131861350
N-[(2,3-dimethoxyphenyl)methyl]-2-methoxyacetamide
CID 47161214
2-amino-N-[[2-(2-hydroxyethoxy)phenyl]methyl]-3-methoxypropanamide;hydrochloride
CID 120992179
2-amino-3-methoxy-N-[(2-methoxy-4-methylphenyl)methyl]propanamide
CID 120992441
2-[2-[[(2-amino-3-methoxypropanoyl)amino]methyl]phenyl]acetic acid
CID 81317772
tert-butyl N-[(2S)-1-[(2,3-dimethoxyphenyl)methylamino]-3-methoxy-1-oxopropan-2-yl]carbamate
CID 118234456
(2S)-2-amino-3-(2,3-dimethoxyphenyl)propanoic acid
CID 40616340
2-amino-N-[(2-bromo-5-fluorophenyl)methyl]-3-methoxypropanamide
CID 81089667
N-[(2,3-dimethoxyphenyl)methyl]-2-(4-methoxyphenyl)acetamide
CID 46590636
N-[(2,3-dimethoxyphenyl)methyl]-2-(2-methylphenyl)acetamide
CID 46590423
2-amino-N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]-3-methoxypropanamide;hydrochloride
CID 120983696

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(2,3-dimethoxyphenyl)methyl]-3-methoxypropanamide?
The IUPAC name of (2S)-2-amino-N-[(2,3-dimethoxyphenyl)methyl]-3-methoxypropanamide (CID 83337824) is (2S)-2-amino-N-[(2,3-dimethoxyphenyl)methyl]-3-methoxypropanamide.
What is the SMILES notation for (2S)-2-amino-N-[(2,3-dimethoxyphenyl)methyl]-3-methoxypropanamide?
The canonical SMILES for (2S)-2-amino-N-[(2,3-dimethoxyphenyl)methyl]-3-methoxypropanamide is COC[C@H](N)C(=O)NCc1cccc(OC)c1OC.
What is the InChIKey of (2S)-2-amino-N-[(2,3-dimethoxyphenyl)methyl]-3-methoxypropanamide?
The InChIKey is BMFRSSHISJICJU-JTQLQIEISA-N. The full InChI is InChI=1S/C13H20N2O4/c1-17-8-10(14)13(16)15-7-9-5-4-6-11(18-2)12(9)19-3/h4-6,10H,7-8,14H2,1-3H3,(H,15,16)/t10-/m0/s1.
What are the key properties of (2S)-2-amino-N-[(2,3-dimethoxyphenyl)methyl]-3-methoxypropanamide?
(2S)-2-amino-N-[(2,3-dimethoxyphenyl)methyl]-3-methoxypropanamide has a molecular weight of 268.31 g/mol, XLogP of 0.29, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(2,3-dimethoxyphenyl)methyl]-3-methoxypropanamide is sourced from PubChem (CID 83337824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).