2-[(3-amino-2-methylpropanoyl)amino]-3,5-dichlorobenzoic acid

C11H12Cl2N2O3 — CID 62670541

IUPAC2-[(3-amino-2-methylpropanoyl)amino]-3,5-dichlorobenzoic acid
SMILESCC(CN)C(=O)Nc1c(Cl)cc(Cl)cc1C(=O)O
InChIInChI=1S/C11H12Cl2N2O3/c1-5(4-14)10(16)15-9-7(11(17)18)2-6(12)3-8(9)13/h2-3,5H,4,14H2,1H3,(H,15,16)(H,17,18)
InChIKeyUFXWNNQVHWETTD-UHFFFAOYSA-N
MW291.13 g/mol
LogP2.22
Rot. Bonds4

About 2-[(3-amino-2-methylpropanoyl)amino]-3,5-dichlorobenzoic acid

2-[(3-amino-2-methylpropanoyl)amino]-3,5-dichlorobenzoic acid (PubChem CID 62670541) has the molecular formula C11H12Cl2N2O3 and a molecular weight of 291.13 g/mol. Its IUPAC name is 2-[(3-amino-2-methylpropanoyl)amino]-3,5-dichlorobenzoic acid.

Molecular Properties

Compound Name2-[(3-amino-2-methylpropanoyl)amino]-3,5-dichlorobenzoic acid
PubChem CID62670541
Molecular FormulaC11H12Cl2N2O3
Molecular Weight291.13 g/mol
Exact Mass290.02
IUPAC Name2-[(3-amino-2-methylpropanoyl)amino]-3,5-dichlorobenzoic acid
SMILESCC(CN)C(=O)Nc1c(Cl)cc(Cl)cc1C(=O)O
InChIInChI=1S/C11H12Cl2N2O3/c1-5(4-14)10(16)15-9-7(11(17)18)2-6(12)3-8(9)13/h2-3,5H,4,14H2,1H3,(H,15,16)(H,17,18)
InChIKeyUFXWNNQVHWETTD-UHFFFAOYSA-N
XLogP2.22
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.13
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dichloro-2-[[2-methyl-3-(methylamino)propanoyl]amino]benzoic acid
CID 79202526
2-[[(2R)-2-aminopentanoyl]amino]-3,5-dichlorobenzoic acid
CID 107569132
2-[(2-amino-4-methylpentanoyl)amino]-3,5-dichlorobenzoic acid
CID 61161551
2-[2-(carbamoylamino)propanoylamino]-3,5-dichlorobenzoic acid
CID 43360187
2-[(3-amino-2-methylpropanoyl)amino]-5-chlorobenzoic acid
CID 55104752
3-amino-N-(4-bromo-2,6-dichlorophenyl)-2-methylpropanamide
CID 62671003
2-[(3-amino-2-methylpropanoyl)amino]-3,5-dibromobenzoic acid
CID 63112369
3,5-dichloro-2-(3-methylbutylamino)benzoic acid
CID 18803925
3,5-dichloro-2-[[propan-2-yl(propyl)carbamoyl]amino]benzoic acid
CID 61194367
3,5-dichloro-2-[(4-ethoxy-4-oxobutanoyl)amino]benzoic acid
CID 43360203
3,5-dichloro-2-(prop-2-enoylamino)benzoic acid
CID 43153770
2-(but-3-enoylamino)-3,5-dichlorobenzoic acid
CID 55103432

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-2-methylpropanoyl)amino]-3,5-dichlorobenzoic acid?
The IUPAC name of 2-[(3-amino-2-methylpropanoyl)amino]-3,5-dichlorobenzoic acid (CID 62670541) is 2-[(3-amino-2-methylpropanoyl)amino]-3,5-dichlorobenzoic acid.
What is the SMILES notation for 2-[(3-amino-2-methylpropanoyl)amino]-3,5-dichlorobenzoic acid?
The canonical SMILES for 2-[(3-amino-2-methylpropanoyl)amino]-3,5-dichlorobenzoic acid is CC(CN)C(=O)Nc1c(Cl)cc(Cl)cc1C(=O)O.
What is the InChIKey of 2-[(3-amino-2-methylpropanoyl)amino]-3,5-dichlorobenzoic acid?
The InChIKey is UFXWNNQVHWETTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N2O3/c1-5(4-14)10(16)15-9-7(11(17)18)2-6(12)3-8(9)13/h2-3,5H,4,14H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-[(3-amino-2-methylpropanoyl)amino]-3,5-dichlorobenzoic acid?
2-[(3-amino-2-methylpropanoyl)amino]-3,5-dichlorobenzoic acid has a molecular weight of 291.13 g/mol, XLogP of 2.22, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-2-methylpropanoyl)amino]-3,5-dichlorobenzoic acid is sourced from PubChem (CID 62670541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).