3-amino-3-(3-methoxy-2,4-dimethylphenyl)propanoic acid

C12H17NO3 — CID 117319634

IUPAC3-amino-3-(3-methoxy-2,4-dimethylphenyl)propanoic acid
SMILESCOc1c(C)ccc(C(N)CC(=O)O)c1C
InChIInChI=1S/C12H17NO3/c1-7-4-5-9(8(2)12(7)16-3)10(13)6-11(14)15/h4-5,10H,6,13H2,1-3H3,(H,14,15)
InChIKeyGZIQZXMTKKYQKY-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.79
Rot. Bonds4

About 3-amino-3-(3-methoxy-2,4-dimethylphenyl)propanoic acid

3-amino-3-(3-methoxy-2,4-dimethylphenyl)propanoic acid (PubChem CID 117319634) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 3-amino-3-(3-methoxy-2,4-dimethylphenyl)propanoic acid.

Molecular Properties

Compound Name3-amino-3-(3-methoxy-2,4-dimethylphenyl)propanoic acid
PubChem CID117319634
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name3-amino-3-(3-methoxy-2,4-dimethylphenyl)propanoic acid
SMILESCOc1c(C)ccc(C(N)CC(=O)O)c1C
InChIInChI=1S/C12H17NO3/c1-7-4-5-9(8(2)12(7)16-3)10(13)6-11(14)15/h4-5,10H,6,13H2,1-3H3,(H,14,15)
InChIKeyGZIQZXMTKKYQKY-UHFFFAOYSA-N
XLogP1.79
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-3-(3,4-dimethoxy-2-methylphenyl)propanoic acid
CID 117350574
3-amino-3-[3-(difluoromethyl)-2-methoxy-6-methylphenyl]propanoic acid
CID 117401245
3-amino-3-(4-fluoro-3-methoxy-2,5-dimethylphenyl)propanoic acid
CID 84800908
3-amino-3-(3-chloro-2,4-dimethylphenyl)propanoic acid
CID 84791799
(3R)-3-amino-3-(2-chloro-3,4-dimethoxyphenyl)propanoic acid
CID 63632709
3-amino-3-(3-hydroxy-2-methoxy-4,5-dimethylphenyl)propanoic acid
CID 117350564
3-amino-3-(4-formyl-2,3-dimethoxyphenyl)propanoic acid
CID 117385433
3-amino-3-(3-tert-butyl-2-methoxy-6-methylphenyl)propanoic acid
CID 117417739
(3S)-3-amino-3-(3-iodo-2-methylphenyl)propanoic acid
CID 130747299
3-amino-3-[3-(1,1-difluoroethyl)-2-methoxy-6-methylphenyl]propanoic acid
CID 117435438
3-amino-3-(3-amino-2-methylphenyl)propanoic acid
CID 55297682
2-(3-methoxy-2,4-dimethylphenyl)propan-1-ol
CID 117284773

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(3-methoxy-2,4-dimethylphenyl)propanoic acid?
The IUPAC name of 3-amino-3-(3-methoxy-2,4-dimethylphenyl)propanoic acid (CID 117319634) is 3-amino-3-(3-methoxy-2,4-dimethylphenyl)propanoic acid.
What is the SMILES notation for 3-amino-3-(3-methoxy-2,4-dimethylphenyl)propanoic acid?
The canonical SMILES for 3-amino-3-(3-methoxy-2,4-dimethylphenyl)propanoic acid is COc1c(C)ccc(C(N)CC(=O)O)c1C.
What is the InChIKey of 3-amino-3-(3-methoxy-2,4-dimethylphenyl)propanoic acid?
The InChIKey is GZIQZXMTKKYQKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-7-4-5-9(8(2)12(7)16-3)10(13)6-11(14)15/h4-5,10H,6,13H2,1-3H3,(H,14,15).
What are the key properties of 3-amino-3-(3-methoxy-2,4-dimethylphenyl)propanoic acid?
3-amino-3-(3-methoxy-2,4-dimethylphenyl)propanoic acid has a molecular weight of 223.27 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(3-methoxy-2,4-dimethylphenyl)propanoic acid is sourced from PubChem (CID 117319634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).