2-amino-3-(5-ethyl-2,3-dimethylphenyl)propanoic acid

C13H19NO2 — CID 117316222

IUPAC2-amino-3-(5-ethyl-2,3-dimethylphenyl)propanoic acid
SMILESCCc1cc(C)c(C)c(CC(N)C(=O)O)c1
InChIInChI=1S/C13H19NO2/c1-4-10-5-8(2)9(3)11(6-10)7-12(14)13(15)16/h5-6,12H,4,7,14H2,1-3H3,(H,15,16)
InChIKeyNDNVIJWGHXBJPI-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.82
Rot. Bonds4

About 2-amino-3-(5-ethyl-2,3-dimethylphenyl)propanoic acid

2-amino-3-(5-ethyl-2,3-dimethylphenyl)propanoic acid (PubChem CID 117316222) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-amino-3-(5-ethyl-2,3-dimethylphenyl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(5-ethyl-2,3-dimethylphenyl)propanoic acid
PubChem CID117316222
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name2-amino-3-(5-ethyl-2,3-dimethylphenyl)propanoic acid
SMILESCCc1cc(C)c(C)c(CC(N)C(=O)O)c1
InChIInChI=1S/C13H19NO2/c1-4-10-5-8(2)9(3)11(6-10)7-12(14)13(15)16/h5-6,12H,4,7,14H2,1-3H3,(H,15,16)
InChIKeyNDNVIJWGHXBJPI-UHFFFAOYSA-N
XLogP1.82
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-3-(3-bromo-5-ethyl-2-hydroxyphenyl)propanoic acid
CID 117464879
(2R)-2-amino-3-(2,3-dimethylphenyl)propanoic acid
CID 73011108
2-amino-3-(3-ethyl-5-hydroxyphenyl)propanoic acid
CID 117298569
2-amino-3-[3-ethyl-4-(4-hydroxyphenoxy)-5-methylphenyl]propanoic acid
CID 123414444
2-amino-3-(3,4-dimethoxy-2,5-dimethylphenyl)propanoic acid
CID 117385942
(2S)-2-amino-3-(4-ethylphenyl)propanoic acid
CID 13406785
(2R)-2-amino-3-(3,4-dimethylphenyl)propanoic acid
CID 56845605
(2R)-2-amino-3-(4-fluoro-3,5-dimethylphenyl)propanoic acid
CID 93478162
2-amino-3-(4,5-dihydroxy-2-methylphenyl)propanoic acid
CID 21295204
3-(5-ethyl-2,3-dimethylphenyl)-2,2-dimethylpropanoic acid
CID 117341037
2-amino-3-(3,5-difluoro-2,4-dimethylphenyl)propanoic acid
CID 84792629
2-amino-3-(4-hydroxy-3-methoxy-2,5-dimethylphenyl)propanoic acid
CID 84701184

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(5-ethyl-2,3-dimethylphenyl)propanoic acid?
The IUPAC name of 2-amino-3-(5-ethyl-2,3-dimethylphenyl)propanoic acid (CID 117316222) is 2-amino-3-(5-ethyl-2,3-dimethylphenyl)propanoic acid.
What is the SMILES notation for 2-amino-3-(5-ethyl-2,3-dimethylphenyl)propanoic acid?
The canonical SMILES for 2-amino-3-(5-ethyl-2,3-dimethylphenyl)propanoic acid is CCc1cc(C)c(C)c(CC(N)C(=O)O)c1.
What is the InChIKey of 2-amino-3-(5-ethyl-2,3-dimethylphenyl)propanoic acid?
The InChIKey is NDNVIJWGHXBJPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-4-10-5-8(2)9(3)11(6-10)7-12(14)13(15)16/h5-6,12H,4,7,14H2,1-3H3,(H,15,16).
What are the key properties of 2-amino-3-(5-ethyl-2,3-dimethylphenyl)propanoic acid?
2-amino-3-(5-ethyl-2,3-dimethylphenyl)propanoic acid has a molecular weight of 221.30 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(5-ethyl-2,3-dimethylphenyl)propanoic acid is sourced from PubChem (CID 117316222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).