2-[[2,6-dichloro-4-(diethylamino)benzoyl]amino]propanoic acid

C14H18Cl2N2O3 — CID 169223700

IUPAC2-[[2,6-dichloro-4-(diethylamino)benzoyl]amino]propanoic acid
SMILESCCN(CC)c1cc(Cl)c(C(=O)NC(C)C(=O)O)c(Cl)c1
InChIInChI=1S/C14H18Cl2N2O3/c1-4-18(5-2)9-6-10(15)12(11(16)7-9)13(19)17-8(3)14(20)21/h6-8H,4-5H2,1-3H3,(H,17,19)(H,20,21)
InChIKeySVDNBTASPYQADC-UHFFFAOYSA-N
MW333.22 g/mol
LogP3.04
Rot. Bonds6

About 2-[[2,6-dichloro-4-(diethylamino)benzoyl]amino]propanoic acid

2-[[2,6-dichloro-4-(diethylamino)benzoyl]amino]propanoic acid (PubChem CID 169223700) has the molecular formula C14H18Cl2N2O3 and a molecular weight of 333.22 g/mol. Its IUPAC name is 2-[[2,6-dichloro-4-(diethylamino)benzoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[2,6-dichloro-4-(diethylamino)benzoyl]amino]propanoic acid
PubChem CID169223700
Molecular FormulaC14H18Cl2N2O3
Molecular Weight333.22 g/mol
Exact Mass332.07
IUPAC Name2-[[2,6-dichloro-4-(diethylamino)benzoyl]amino]propanoic acid
SMILESCCN(CC)c1cc(Cl)c(C(=O)NC(C)C(=O)O)c(Cl)c1
InChIInChI=1S/C14H18Cl2N2O3/c1-4-18(5-2)9-6-10(15)12(11(16)7-9)13(19)17-8(3)14(20)21/h6-8H,4-5H2,1-3H3,(H,17,19)(H,20,21)
InChIKeySVDNBTASPYQADC-UHFFFAOYSA-N
XLogP3.04
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.22
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-chloro-2-ethyl-6-methylbenzoyl)amino]propanoic acid
CID 91345980
3,5-dichloro-N,N-diethyl-4-propan-2-ylaniline
CID 170413770
(2R)-2-[(5-bromo-2-chlorobenzoyl)amino]propanoic acid
CID 78972945
2-chloro-5-(diethylamino)benzoic acid
CID 79695041
(2S)-2-[(4-chlorothiophene-2-carbonyl)amino]propanoic acid
CID 110836827
2-[3-(N-ethylanilino)propanoylamino]propanoic acid
CID 82042584
2-chloro-4-(diethylamino)benzoic acid
CID 62945761
(2S)-2-[(3,4-dichlorophenyl)carbamoylamino]propanoic acid
CID 945760
(2S)-2-[(4,5-dichloro-2-methoxybenzoyl)amino]propanoic acid
CID 119942883
(2R)-2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid
CID 54990799
ethyl 2-[(2,6-dichlorobenzoyl)amino]propanoate
CID 54960145
2-[[4-(1-carboxyethylcarbamoyl)benzoyl]amino]propanoic acid
CID 4130949

Frequently Asked Questions

What is the IUPAC name of 2-[[2,6-dichloro-4-(diethylamino)benzoyl]amino]propanoic acid?
The IUPAC name of 2-[[2,6-dichloro-4-(diethylamino)benzoyl]amino]propanoic acid (CID 169223700) is 2-[[2,6-dichloro-4-(diethylamino)benzoyl]amino]propanoic acid.
What is the SMILES notation for 2-[[2,6-dichloro-4-(diethylamino)benzoyl]amino]propanoic acid?
The canonical SMILES for 2-[[2,6-dichloro-4-(diethylamino)benzoyl]amino]propanoic acid is CCN(CC)c1cc(Cl)c(C(=O)NC(C)C(=O)O)c(Cl)c1.
What is the InChIKey of 2-[[2,6-dichloro-4-(diethylamino)benzoyl]amino]propanoic acid?
The InChIKey is SVDNBTASPYQADC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O3/c1-4-18(5-2)9-6-10(15)12(11(16)7-9)13(19)17-8(3)14(20)21/h6-8H,4-5H2,1-3H3,(H,17,19)(H,20,21).
What are the key properties of 2-[[2,6-dichloro-4-(diethylamino)benzoyl]amino]propanoic acid?
2-[[2,6-dichloro-4-(diethylamino)benzoyl]amino]propanoic acid has a molecular weight of 333.22 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2,6-dichloro-4-(diethylamino)benzoyl]amino]propanoic acid is sourced from PubChem (CID 169223700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).