3-[2-[(2,3-dichlorobenzoyl)amino]propanoyl-methylamino]-2-methylpropanoic acid

C15H18Cl2N2O4 — CID 119228702

IUPAC3-[2-[(2,3-dichlorobenzoyl)amino]propanoyl-methylamino]-2-methylpropanoic acid
SMILESCC(CN(C)C(=O)C(C)NC(=O)c1cccc(Cl)c1Cl)C(=O)O
InChIInChI=1S/C15H18Cl2N2O4/c1-8(15(22)23)7-19(3)14(21)9(2)18-13(20)10-5-4-6-11(16)12(10)17/h4-6,8-9H,7H2,1-3H3,(H,18,20)(H,22,23)
InChIKeyYUEBANHOOSYYEY-UHFFFAOYSA-N
MW361.23 g/mol
LogP2.29
Rot. Bonds6

About 3-[2-[(2,3-dichlorobenzoyl)amino]propanoyl-methylamino]-2-methylpropanoic acid

3-[2-[(2,3-dichlorobenzoyl)amino]propanoyl-methylamino]-2-methylpropanoic acid (PubChem CID 119228702) has the molecular formula C15H18Cl2N2O4 and a molecular weight of 361.23 g/mol. Its IUPAC name is 3-[2-[(2,3-dichlorobenzoyl)amino]propanoyl-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[2-[(2,3-dichlorobenzoyl)amino]propanoyl-methylamino]-2-methylpropanoic acid
PubChem CID119228702
Molecular FormulaC15H18Cl2N2O4
Molecular Weight361.23 g/mol
Exact Mass360.06
IUPAC Name3-[2-[(2,3-dichlorobenzoyl)amino]propanoyl-methylamino]-2-methylpropanoic acid
SMILESCC(CN(C)C(=O)C(C)NC(=O)c1cccc(Cl)c1Cl)C(=O)O
InChIInChI=1S/C15H18Cl2N2O4/c1-8(15(22)23)7-19(3)14(21)9(2)18-13(20)10-5-4-6-11(16)12(10)17/h4-6,8-9H,7H2,1-3H3,(H,18,20)(H,22,23)
InChIKeyYUEBANHOOSYYEY-UHFFFAOYSA-N
XLogP2.29
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.23
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[(4-bromothiophen-2-yl)methyl-methylamino]-1-oxopropan-2-yl]-2,3-dichlorobenzamide
CID 55742593
2,3-dichloro-N-[1-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-1-oxopropan-2-yl]benzamide
CID 55739220
2,3-dichloro-N-[1-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-1-oxopropan-2-yl]benzamide
CID 55739251
N-[1-[(1-amino-4-methylpentan-2-yl)amino]-1-oxopropan-2-yl]-2,3-dichlorobenzamide
CID 119588241
3-[2-(furan-3-carbonylamino)propanoyl-methylamino]-2-methylpropanoic acid
CID 119227974
2-[(2,3-dichlorobenzoyl)amino]-4-oxohexanoic acid
CID 146153202
2,3-dichloro-N-[1-[methyl(pyrrolidin-3-yl)amino]-1-oxopropan-2-yl]benzamide
CID 119553991
(2S)-2-[(2,3-dichlorobenzoyl)amino]-3,3-dimethylbutanoic acid
CID 61145041
tert-butyl (2R)-2-[(2,3-dichlorobenzoyl)amino]propanoate
CID 81003606
5-[(2,3-dichlorobenzoyl)amino]hexanoic acid
CID 82854179
2-chloro-N-[(2S)-1-[methyl-[2-(2-methylphenoxy)ethyl]amino]-1-oxopropan-2-yl]benzamide
CID 46688396
(2S)-2-[(3-chloro-2-methylbenzoyl)amino]propanoic acid
CID 107095878

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2,3-dichlorobenzoyl)amino]propanoyl-methylamino]-2-methylpropanoic acid?
The IUPAC name of 3-[2-[(2,3-dichlorobenzoyl)amino]propanoyl-methylamino]-2-methylpropanoic acid (CID 119228702) is 3-[2-[(2,3-dichlorobenzoyl)amino]propanoyl-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[2-[(2,3-dichlorobenzoyl)amino]propanoyl-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 3-[2-[(2,3-dichlorobenzoyl)amino]propanoyl-methylamino]-2-methylpropanoic acid is CC(CN(C)C(=O)C(C)NC(=O)c1cccc(Cl)c1Cl)C(=O)O.
What is the InChIKey of 3-[2-[(2,3-dichlorobenzoyl)amino]propanoyl-methylamino]-2-methylpropanoic acid?
The InChIKey is YUEBANHOOSYYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N2O4/c1-8(15(22)23)7-19(3)14(21)9(2)18-13(20)10-5-4-6-11(16)12(10)17/h4-6,8-9H,7H2,1-3H3,(H,18,20)(H,22,23).
What are the key properties of 3-[2-[(2,3-dichlorobenzoyl)amino]propanoyl-methylamino]-2-methylpropanoic acid?
3-[2-[(2,3-dichlorobenzoyl)amino]propanoyl-methylamino]-2-methylpropanoic acid has a molecular weight of 361.23 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2,3-dichlorobenzoyl)amino]propanoyl-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 119228702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).