2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]propanoic acid

C13H18N2O3 — CID 43467206

IUPAC2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]propanoic acid
SMILESCc1cccc(C)c1NC(=O)CNC(C)C(=O)O
InChIInChI=1S/C13H18N2O3/c1-8-5-4-6-9(2)12(8)15-11(16)7-14-10(3)13(17)18/h4-6,10,14H,7H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyXRWQLEWROZPRKD-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.30
Rot. Bonds5

About 2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]propanoic acid

2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]propanoic acid (PubChem CID 43467206) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]propanoic acid
PubChem CID43467206
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]propanoic acid
SMILESCc1cccc(C)c1NC(=O)CNC(C)C(=O)O
InChIInChI=1S/C13H18N2O3/c1-8-5-4-6-9(2)12(8)15-11(16)7-14-10(3)13(17)18/h4-6,10,14H,7H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyXRWQLEWROZPRKD-UHFFFAOYSA-N
XLogP1.30
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-3-methylbutanoic acid
CID 43468395
2-(butan-2-ylamino)-N-(2,6-dimethylphenyl)acetamide
CID 21430532
N-(2,6-dimethylphenyl)-2-[(2-hydroxy-1-phenylethyl)amino]acetamide
CID 110012993
2-[[2-(3-methylanilino)-2-oxoethyl]amino]propanoic acid
CID 43467219
(2S)-2-[(2,6-dimethylphenyl)carbamoylamino]propanoic acid
CID 28508457
2-[(2,6-dimethylphenyl)carbamoylamino]propanoic acid
CID 61190244
(2R)-2-[[2-(3-iodoanilino)-2-oxoethyl]amino]propanoic acid
CID 83194447
(2R)-2-[[2-(3-acetylanilino)-2-oxoethyl]amino]propanoic acid
CID 83194431
5-(2,6-dimethylanilino)-3-methyl-5-oxopentanoic acid
CID 62964697
(2R)-2-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]propanamide;hydrochloride
CID 119268629
(2R)-4-(2,6-dimethylanilino)-2-(2-methylpropylamino)-4-oxobutanoic acid
CID 40649608
2-[[(2S)-butan-2-yl]amino]-N-(2-chloro-6-methylphenyl)acetamide
CID 124514697

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]propanoic acid?
The IUPAC name of 2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]propanoic acid (CID 43467206) is 2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]propanoic acid.
What is the SMILES notation for 2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]propanoic acid?
The canonical SMILES for 2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]propanoic acid is Cc1cccc(C)c1NC(=O)CNC(C)C(=O)O.
What is the InChIKey of 2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]propanoic acid?
The InChIKey is XRWQLEWROZPRKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-8-5-4-6-9(2)12(8)15-11(16)7-14-10(3)13(17)18/h4-6,10,14H,7H2,1-3H3,(H,15,16)(H,17,18).
What are the key properties of 2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]propanoic acid?
2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]propanoic acid has a molecular weight of 250.30 g/mol, XLogP of 1.30, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]propanoic acid is sourced from PubChem (CID 43467206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).