(2R)-2-[[3-(2,6-dichloroanilino)-3-oxopropyl]amino]propanoic acid

C12H14Cl2N2O3 — CID 83194749

IUPAC(2R)-2-[[3-(2,6-dichloroanilino)-3-oxopropyl]amino]propanoic acid
SMILESC[C@@H](NCCC(=O)Nc1c(Cl)cccc1Cl)C(=O)O
InChIInChI=1S/C12H14Cl2N2O3/c1-7(12(18)19)15-6-5-10(17)16-11-8(13)3-2-4-9(11)14/h2-4,7,15H,5-6H2,1H3,(H,16,17)(H,18,19)/t7-/m1/s1
InChIKeyIMZFAGUAYCBQFL-SSDOTTSWSA-N
MW305.16 g/mol
LogP2.38
Rot. Bonds6

About (2R)-2-[[3-(2,6-dichloroanilino)-3-oxopropyl]amino]propanoic acid

(2R)-2-[[3-(2,6-dichloroanilino)-3-oxopropyl]amino]propanoic acid (PubChem CID 83194749) has the molecular formula C12H14Cl2N2O3 and a molecular weight of 305.16 g/mol. Its IUPAC name is (2R)-2-[[3-(2,6-dichloroanilino)-3-oxopropyl]amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[[3-(2,6-dichloroanilino)-3-oxopropyl]amino]propanoic acid
PubChem CID83194749
Molecular FormulaC12H14Cl2N2O3
Molecular Weight305.16 g/mol
Exact Mass304.04
IUPAC Name(2R)-2-[[3-(2,6-dichloroanilino)-3-oxopropyl]amino]propanoic acid
SMILESC[C@@H](NCCC(=O)Nc1c(Cl)cccc1Cl)C(=O)O
InChIInChI=1S/C12H14Cl2N2O3/c1-7(12(18)19)15-6-5-10(17)16-11-8(13)3-2-4-9(11)14/h2-4,7,15H,5-6H2,1H3,(H,16,17)(H,18,19)/t7-/m1/s1
InChIKeyIMZFAGUAYCBQFL-SSDOTTSWSA-N
XLogP2.38
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.16
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N,N'-bis(2,6-dichlorophenyl)butanediamide
CID 1010966
2-[[3-(2,6-dichloroanilino)-3-oxopropyl]-methylamino]propanoic acid
CID 62637976
(2R)-2-[3-(2,6-dichloroanilino)-3-oxopropoxy]propanoic acid
CID 104875680
N,N'-bis(2,6-dichlorophenyl)pentanediamide
CID 1291740
N-(2,6-dichlorophenyl)-3-methylbutanamide
CID 849070
N-(2,6-dichlorophenyl)-3-[1-hydroxypropan-2-yl(methyl)amino]propanamide
CID 104554153
4-(2,6-dichloroanilino)-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
CID 65467753
3-[(2-chlorophenyl)methylamino]-N-(2,6-dichlorophenyl)propanamide
CID 109021615
3-(2,6-dichloroanilino)-N-(2,6-dimethylphenyl)propanamide
CID 109035835
3-[acetyl(propan-2-yl)amino]-N-(2,6-dichlorophenyl)propanamide
CID 113115297
N-(2,6-dimethylphenyl)-3-(propan-2-ylamino)propanamide
CID 54924858
2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]propanoic acid
CID 43467206

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[3-(2,6-dichloroanilino)-3-oxopropyl]amino]propanoic acid?
The IUPAC name of (2R)-2-[[3-(2,6-dichloroanilino)-3-oxopropyl]amino]propanoic acid (CID 83194749) is (2R)-2-[[3-(2,6-dichloroanilino)-3-oxopropyl]amino]propanoic acid.
What is the SMILES notation for (2R)-2-[[3-(2,6-dichloroanilino)-3-oxopropyl]amino]propanoic acid?
The canonical SMILES for (2R)-2-[[3-(2,6-dichloroanilino)-3-oxopropyl]amino]propanoic acid is C[C@@H](NCCC(=O)Nc1c(Cl)cccc1Cl)C(=O)O.
What is the InChIKey of (2R)-2-[[3-(2,6-dichloroanilino)-3-oxopropyl]amino]propanoic acid?
The InChIKey is IMZFAGUAYCBQFL-SSDOTTSWSA-N. The full InChI is InChI=1S/C12H14Cl2N2O3/c1-7(12(18)19)15-6-5-10(17)16-11-8(13)3-2-4-9(11)14/h2-4,7,15H,5-6H2,1H3,(H,16,17)(H,18,19)/t7-/m1/s1.
What are the key properties of (2R)-2-[[3-(2,6-dichloroanilino)-3-oxopropyl]amino]propanoic acid?
(2R)-2-[[3-(2,6-dichloroanilino)-3-oxopropyl]amino]propanoic acid has a molecular weight of 305.16 g/mol, XLogP of 2.38, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[3-(2,6-dichloroanilino)-3-oxopropyl]amino]propanoic acid is sourced from PubChem (CID 83194749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).