2-amino-3-(2-methoxy-N,5-dimethylanilino)propanoic acid

C12H18N2O3 — CID 115240536

IUPAC2-amino-3-(2-methoxy-N,5-dimethylanilino)propanoic acid
SMILESCOc1ccc(C)cc1N(C)CC(N)C(=O)O
InChIInChI=1S/C12H18N2O3/c1-8-4-5-11(17-3)10(6-8)14(2)7-9(13)12(15)16/h4-6,9H,7,13H2,1-3H3,(H,15,16)
InChIKeyKFRXTDRMGQIEMF-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.85
Rot. Bonds5

About 2-amino-3-(2-methoxy-N,5-dimethylanilino)propanoic acid

2-amino-3-(2-methoxy-N,5-dimethylanilino)propanoic acid (PubChem CID 115240536) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-amino-3-(2-methoxy-N,5-dimethylanilino)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(2-methoxy-N,5-dimethylanilino)propanoic acid
PubChem CID115240536
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name2-amino-3-(2-methoxy-N,5-dimethylanilino)propanoic acid
SMILESCOc1ccc(C)cc1N(C)CC(N)C(=O)O
InChIInChI=1S/C12H18N2O3/c1-8-4-5-11(17-3)10(6-8)14(2)7-9(13)12(15)16/h4-6,9H,7,13H2,1-3H3,(H,15,16)
InChIKeyKFRXTDRMGQIEMF-UHFFFAOYSA-N
XLogP0.85
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-(2-methoxy-N,5-dimethylanilino)propan-1-ol
CID 115120374
3-N-(2-methoxy-5-methylphenyl)-3-N-methylpropane-1,2,3-triamine
CID 115119499
3-amino-4-(2-methoxy-N,5-dimethylanilino)-4-oxobutanoic acid
CID 115181262
2-[(2-methoxy-N,5-dimethylanilino)methyl]butan-1-ol
CID 115250618
(2S)-2-(2-methoxy-N,5-dimethylanilino)butanoic acid
CID 100521470
2-[(2-methoxy-N,5-dimethylanilino)methyl]-3-methylbutan-1-ol
CID 115251929
1-amino-3-(2-methoxy-N,5-dimethylanilino)propan-2-one
CID 83822875
N-ethyl-2-methoxy-N,5-dimethylaniline
CID 58577971
3-(2-methoxy-N,5-dimethylanilino)-2-(methylamino)-3-oxopropanoic acid
CID 115189358
2-amino-4-(2-methoxy-4-methylphenoxy)-4-methylpentanoic acid
CID 116821176
3-[2-methoxy-5-methyl-N-(2-methylpropanoyl)anilino]-2-methylpropanoic acid
CID 82321051
2-[N-(carboxymethyl)-2-methoxy-5-methylanilino]acetic acid
CID 94690899

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2-methoxy-N,5-dimethylanilino)propanoic acid?
The IUPAC name of 2-amino-3-(2-methoxy-N,5-dimethylanilino)propanoic acid (CID 115240536) is 2-amino-3-(2-methoxy-N,5-dimethylanilino)propanoic acid.
What is the SMILES notation for 2-amino-3-(2-methoxy-N,5-dimethylanilino)propanoic acid?
The canonical SMILES for 2-amino-3-(2-methoxy-N,5-dimethylanilino)propanoic acid is COc1ccc(C)cc1N(C)CC(N)C(=O)O.
What is the InChIKey of 2-amino-3-(2-methoxy-N,5-dimethylanilino)propanoic acid?
The InChIKey is KFRXTDRMGQIEMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-8-4-5-11(17-3)10(6-8)14(2)7-9(13)12(15)16/h4-6,9H,7,13H2,1-3H3,(H,15,16).
What are the key properties of 2-amino-3-(2-methoxy-N,5-dimethylanilino)propanoic acid?
2-amino-3-(2-methoxy-N,5-dimethylanilino)propanoic acid has a molecular weight of 238.29 g/mol, XLogP of 0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2-methoxy-N,5-dimethylanilino)propanoic acid is sourced from PubChem (CID 115240536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).