2-[(2-chloro-4,5-dimethylbenzoyl)amino]-3-methoxy-2-methylpropanoic acid

C14H18ClNO4 — CID 120531764

IUPAC2-[(2-chloro-4,5-dimethylbenzoyl)amino]-3-methoxy-2-methylpropanoic acid
SMILESCOCC(C)(NC(=O)c1cc(C)c(C)cc1Cl)C(=O)O
InChIInChI=1S/C14H18ClNO4/c1-8-5-10(11(15)6-9(8)2)12(17)16-14(3,7-20-4)13(18)19/h5-6H,7H2,1-4H3,(H,16,17)(H,18,19)
InChIKeyHUKXOOGGWXIQBF-UHFFFAOYSA-N
MW299.75 g/mol
LogP2.18
Rot. Bonds5

About 2-[(2-chloro-4,5-dimethylbenzoyl)amino]-3-methoxy-2-methylpropanoic acid

2-[(2-chloro-4,5-dimethylbenzoyl)amino]-3-methoxy-2-methylpropanoic acid (PubChem CID 120531764) has the molecular formula C14H18ClNO4 and a molecular weight of 299.75 g/mol. Its IUPAC name is 2-[(2-chloro-4,5-dimethylbenzoyl)amino]-3-methoxy-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(2-chloro-4,5-dimethylbenzoyl)amino]-3-methoxy-2-methylpropanoic acid
PubChem CID120531764
Molecular FormulaC14H18ClNO4
Molecular Weight299.75 g/mol
Exact Mass299.09
IUPAC Name2-[(2-chloro-4,5-dimethylbenzoyl)amino]-3-methoxy-2-methylpropanoic acid
SMILESCOCC(C)(NC(=O)c1cc(C)c(C)cc1Cl)C(=O)O
InChIInChI=1S/C14H18ClNO4/c1-8-5-10(11(15)6-9(8)2)12(17)16-14(3,7-20-4)13(18)19/h5-6H,7H2,1-4H3,(H,16,17)(H,18,19)
InChIKeyHUKXOOGGWXIQBF-UHFFFAOYSA-N
XLogP2.18
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.75
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2R)-2-[(2,4-dichlorobenzoyl)amino]-3-methoxy-2-methylpropanoate
CID 96539434
3-[(2-chloro-4,5-dimethylbenzoyl)amino]-3-ethylpentanoic acid
CID 120532514
2-[(2-ethylbenzoyl)amino]-3-methoxy-2-methylpropanoic acid
CID 120558563
2-(2,3-dihydro-1H-indene-4-carbonylamino)-3-methoxy-2-methylpropanoic acid
CID 120688590
(2S)-2-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-2-methylbutanoic acid
CID 142416073
3-methoxy-2-methyl-2-[(1-methyl-2-oxopyridine-3-carbonyl)amino]propanoic acid
CID 120531726
2-[(4-bromo-2-chlorobenzoyl)amino]-2-methylbutanoic acid
CID 79793235
4-amino-2-chloro-N-(1-methoxy-2-methylpropan-2-yl)benzamide
CID 115738829
2-[(2,4-dichlorobenzoyl)amino]-2-methylpentanoic acid
CID 43618517
3-methoxy-2-methyl-2-[[4-(propan-2-ylcarbamoyl)benzoyl]amino]propanoic acid
CID 120531734
3-methoxy-2-methyl-2-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]propanoic acid
CID 120531870
4-amino-2-chloro-N-(1-methoxy-2-methylpropan-2-yl)benzamide;hydrochloride
CID 119760977

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4,5-dimethylbenzoyl)amino]-3-methoxy-2-methylpropanoic acid?
The IUPAC name of 2-[(2-chloro-4,5-dimethylbenzoyl)amino]-3-methoxy-2-methylpropanoic acid (CID 120531764) is 2-[(2-chloro-4,5-dimethylbenzoyl)amino]-3-methoxy-2-methylpropanoic acid.
What is the SMILES notation for 2-[(2-chloro-4,5-dimethylbenzoyl)amino]-3-methoxy-2-methylpropanoic acid?
The canonical SMILES for 2-[(2-chloro-4,5-dimethylbenzoyl)amino]-3-methoxy-2-methylpropanoic acid is COCC(C)(NC(=O)c1cc(C)c(C)cc1Cl)C(=O)O.
What is the InChIKey of 2-[(2-chloro-4,5-dimethylbenzoyl)amino]-3-methoxy-2-methylpropanoic acid?
The InChIKey is HUKXOOGGWXIQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO4/c1-8-5-10(11(15)6-9(8)2)12(17)16-14(3,7-20-4)13(18)19/h5-6H,7H2,1-4H3,(H,16,17)(H,18,19).
What are the key properties of 2-[(2-chloro-4,5-dimethylbenzoyl)amino]-3-methoxy-2-methylpropanoic acid?
2-[(2-chloro-4,5-dimethylbenzoyl)amino]-3-methoxy-2-methylpropanoic acid has a molecular weight of 299.75 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-4,5-dimethylbenzoyl)amino]-3-methoxy-2-methylpropanoic acid is sourced from PubChem (CID 120531764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).