3-methoxy-2-methyl-2-[[4-(propan-2-ylcarbamoyl)benzoyl]amino]propanoic acid

C16H22N2O5 — CID 120531734

IUPAC3-methoxy-2-methyl-2-[[4-(propan-2-ylcarbamoyl)benzoyl]amino]propanoic acid
SMILESCOCC(C)(NC(=O)c1ccc(C(=O)NC(C)C)cc1)C(=O)O
InChIInChI=1S/C16H22N2O5/c1-10(2)17-13(19)11-5-7-12(8-6-11)14(20)18-16(3,9-23-4)15(21)22/h5-8,10H,9H2,1-4H3,(H,17,19)(H,18,20)(H,21,22)
InChIKeyUDAMXXLHDCGYDH-UHFFFAOYSA-N
MW322.36 g/mol
LogP1.04
Rot. Bonds7

About 3-methoxy-2-methyl-2-[[4-(propan-2-ylcarbamoyl)benzoyl]amino]propanoic acid

3-methoxy-2-methyl-2-[[4-(propan-2-ylcarbamoyl)benzoyl]amino]propanoic acid (PubChem CID 120531734) has the molecular formula C16H22N2O5 and a molecular weight of 322.36 g/mol. Its IUPAC name is 3-methoxy-2-methyl-2-[[4-(propan-2-ylcarbamoyl)benzoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-methoxy-2-methyl-2-[[4-(propan-2-ylcarbamoyl)benzoyl]amino]propanoic acid
PubChem CID120531734
Molecular FormulaC16H22N2O5
Molecular Weight322.36 g/mol
Exact Mass322.15
IUPAC Name3-methoxy-2-methyl-2-[[4-(propan-2-ylcarbamoyl)benzoyl]amino]propanoic acid
SMILESCOCC(C)(NC(=O)c1ccc(C(=O)NC(C)C)cc1)C(=O)O
InChIInChI=1S/C16H22N2O5/c1-10(2)17-13(19)11-5-7-12(8-6-11)14(20)18-16(3,9-23-4)15(21)22/h5-8,10H,9H2,1-4H3,(H,17,19)(H,18,20)(H,21,22)
InChIKeyUDAMXXLHDCGYDH-UHFFFAOYSA-N
XLogP1.04
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-2-[[4-(propan-2-ylcarbamoyl)benzoyl]amino]butanoic acid
CID 120518474
2-[(4-hydroxybenzoyl)amino]-2-methylbutanoic acid
CID 79792550
3-methoxy-2-methyl-2-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzoyl]amino]propanoic acid
CID 120531759
2-(2,3-dimethylbutanoylamino)-3-methoxy-2-methylpropanoic acid
CID 115910298
3-methoxy-2-methyl-2-[(3-methyl-2-oxo-1H-benzimidazole-5-carbonyl)amino]propanoic acid
CID 120531806
2-(2,3-dihydro-1H-indene-4-carbonylamino)-3-methoxy-2-methylpropanoic acid
CID 120688590
2-[(2-ethylbenzoyl)amino]-3-methoxy-2-methylpropanoic acid
CID 120558563
3-methoxy-2-methyl-2-[[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]propanoic acid
CID 120531851
1-N,4-N-bis[(2R)-1-methoxypropan-2-yl]benzene-1,4-dicarboxamide
CID 25476067
(2R)-3-methoxy-2-methyl-2-[(4-methylphenyl)carbamoylamino]propanoic acid
CID 100730155
4-[(3-methoxy-3-methylbutyl)amino]-N-propan-2-ylbenzamide
CID 102975760
2-methyl-2-[[4-(methylsulfanylmethyl)benzoyl]amino]butanoic acid
CID 79792554

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-methyl-2-[[4-(propan-2-ylcarbamoyl)benzoyl]amino]propanoic acid?
The IUPAC name of 3-methoxy-2-methyl-2-[[4-(propan-2-ylcarbamoyl)benzoyl]amino]propanoic acid (CID 120531734) is 3-methoxy-2-methyl-2-[[4-(propan-2-ylcarbamoyl)benzoyl]amino]propanoic acid.
What is the SMILES notation for 3-methoxy-2-methyl-2-[[4-(propan-2-ylcarbamoyl)benzoyl]amino]propanoic acid?
The canonical SMILES for 3-methoxy-2-methyl-2-[[4-(propan-2-ylcarbamoyl)benzoyl]amino]propanoic acid is COCC(C)(NC(=O)c1ccc(C(=O)NC(C)C)cc1)C(=O)O.
What is the InChIKey of 3-methoxy-2-methyl-2-[[4-(propan-2-ylcarbamoyl)benzoyl]amino]propanoic acid?
The InChIKey is UDAMXXLHDCGYDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O5/c1-10(2)17-13(19)11-5-7-12(8-6-11)14(20)18-16(3,9-23-4)15(21)22/h5-8,10H,9H2,1-4H3,(H,17,19)(H,18,20)(H,21,22).
What are the key properties of 3-methoxy-2-methyl-2-[[4-(propan-2-ylcarbamoyl)benzoyl]amino]propanoic acid?
3-methoxy-2-methyl-2-[[4-(propan-2-ylcarbamoyl)benzoyl]amino]propanoic acid has a molecular weight of 322.36 g/mol, XLogP of 1.04, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-methyl-2-[[4-(propan-2-ylcarbamoyl)benzoyl]amino]propanoic acid is sourced from PubChem (CID 120531734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).