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

C11H16N2O2 — CID 130492136

IUPAC3-amino-2-(2,5-dimethylanilino)propanoic acid
SMILESCc1ccc(C)c(NC(CN)C(=O)O)c1
InChIInChI=1S/C11H16N2O2/c1-7-3-4-8(2)9(5-7)13-10(6-12)11(14)15/h3-5,10,13H,6,12H2,1-2H3,(H,14,15)
InChIKeyGCRSSBQEOGYNNA-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.13
Rot. Bonds4

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

3-amino-2-(2,5-dimethylanilino)propanoic acid (PubChem CID 130492136) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-amino-2-(2,5-dimethylanilino)propanoic acid.

Molecular Properties

Compound Name3-amino-2-(2,5-dimethylanilino)propanoic acid
PubChem CID130492136
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name3-amino-2-(2,5-dimethylanilino)propanoic acid
SMILESCc1ccc(C)c(NC(CN)C(=O)O)c1
InChIInChI=1S/C11H16N2O2/c1-7-3-4-8(2)9(5-7)13-10(6-12)11(14)15/h3-5,10,13H,6,12H2,1-2H3,(H,14,15)
InChIKeyGCRSSBQEOGYNNA-UHFFFAOYSA-N
XLogP1.13
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(2,5-dimethylanilino)-4-oxo-4-phenylbutanoic acid
CID 748199
(2S)-2-(2,5-dimethylanilino)-3-methylbutanoic acid
CID 15383893
3-amino-2-(2,4-difluoroanilino)propanoic acid
CID 130492138
2-[(2,5-dimethylphenyl)carbamoylamino]pentanoic acid
CID 61199945
3-amino-2-(3-iodo-2-methylanilino)propanoic acid
CID 130498145
5-amino-N-(2,5-dimethylphenyl)-4-methylpentanamide
CID 82683861
2-(5-bromo-2-methylanilino)pentanoic acid
CID 83038608
2-(2,4-dimethylanilino)hexanoic acid
CID 103230729
N'-(2,5-dimethylphenyl)ethane-1,2-diamine
CID 12666397
2-aminoacetic acid;2,2,2-trichloroethyl (2S)-2-(2,5-dimethylanilino)propanoate
CID 70567745
(4E)-2-(2,5-dimethylanilino)-4-(2-oxo-1-phenylpyrrolidin-3-ylidene)butanoic acid
CID 143057568
2-(2-chloro-5-methylanilino)hexanoic acid
CID 107636534

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2,5-dimethylanilino)propanoic acid?
The IUPAC name of 3-amino-2-(2,5-dimethylanilino)propanoic acid (CID 130492136) is 3-amino-2-(2,5-dimethylanilino)propanoic acid.
What is the SMILES notation for 3-amino-2-(2,5-dimethylanilino)propanoic acid?
The canonical SMILES for 3-amino-2-(2,5-dimethylanilino)propanoic acid is Cc1ccc(C)c(NC(CN)C(=O)O)c1.
What is the InChIKey of 3-amino-2-(2,5-dimethylanilino)propanoic acid?
The InChIKey is GCRSSBQEOGYNNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-7-3-4-8(2)9(5-7)13-10(6-12)11(14)15/h3-5,10,13H,6,12H2,1-2H3,(H,14,15).
What are the key properties of 3-amino-2-(2,5-dimethylanilino)propanoic acid?
3-amino-2-(2,5-dimethylanilino)propanoic acid has a molecular weight of 208.26 g/mol, XLogP of 1.13, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2,5-dimethylanilino)propanoic acid is sourced from PubChem (CID 130492136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).