4-[(2-amino-3,3-dimethylbutanoyl)amino]-2-methoxybenzoic acid

C14H20N2O4 — CID 107208073

IUPAC4-[(2-amino-3,3-dimethylbutanoyl)amino]-2-methoxybenzoic acid
SMILESCOc1cc(NC(=O)C(N)C(C)(C)C)ccc1C(=O)O
InChIInChI=1S/C14H20N2O4/c1-14(2,3)11(15)12(17)16-8-5-6-9(13(18)19)10(7-8)20-4/h5-7,11H,15H2,1-4H3,(H,16,17)(H,18,19)
InChIKeyGLLGRZNYGKBLLG-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.71
Rot. Bonds4

About 4-[(2-amino-3,3-dimethylbutanoyl)amino]-2-methoxybenzoic acid

4-[(2-amino-3,3-dimethylbutanoyl)amino]-2-methoxybenzoic acid (PubChem CID 107208073) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 4-[(2-amino-3,3-dimethylbutanoyl)amino]-2-methoxybenzoic acid.

Molecular Properties

Compound Name4-[(2-amino-3,3-dimethylbutanoyl)amino]-2-methoxybenzoic acid
PubChem CID107208073
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name4-[(2-amino-3,3-dimethylbutanoyl)amino]-2-methoxybenzoic acid
SMILESCOc1cc(NC(=O)C(N)C(C)(C)C)ccc1C(=O)O
InChIInChI=1S/C14H20N2O4/c1-14(2,3)11(15)12(17)16-8-5-6-9(13(18)19)10(7-8)20-4/h5-7,11H,15H2,1-4H3,(H,16,17)(H,18,19)
InChIKeyGLLGRZNYGKBLLG-UHFFFAOYSA-N
XLogP1.71
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-amino-3,3-dimethylbutanoyl)amino]-2-fluorobenzoic acid
CID 103869120
4-[[(2R)-2-aminopentanoyl]amino]-2-methoxybenzoic acid
CID 107570971
4-[[(2S)-2-amino-3-methylpentanoyl]amino]-2-methoxybenzoic acid
CID 107208045
4-(carbamoylamino)-2-methoxybenzoic acid
CID 107208856
(2R)-2-amino-N-(3-chloro-4-methoxyphenyl)-3,3-dimethylbutanamide
CID 103928285
(2R)-2-amino-N-(4-ethoxy-3-methoxyphenyl)-3,3-dimethylbutanamide
CID 103928800
(2S)-2-amino-N-(4-ethoxy-3-methoxyphenyl)-3,3-dimethylbutanamide;hydrochloride
CID 119688392
2-amino-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]-3,3-dimethylbutanamide
CID 76893076
(2S)-2-amino-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]-3,3-dimethylbutanamide
CID 61154260
(2S)-2-amino-N-(4-methoxyphenyl)-3,3-dimethylbutanamide
CID 61149357
4-(4-aminopentanoylamino)-2-methoxybenzoic acid
CID 107208189
4-(3-aminopentanoylamino)-2-methoxybenzoic acid
CID 107208106

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-3,3-dimethylbutanoyl)amino]-2-methoxybenzoic acid?
The IUPAC name of 4-[(2-amino-3,3-dimethylbutanoyl)amino]-2-methoxybenzoic acid (CID 107208073) is 4-[(2-amino-3,3-dimethylbutanoyl)amino]-2-methoxybenzoic acid.
What is the SMILES notation for 4-[(2-amino-3,3-dimethylbutanoyl)amino]-2-methoxybenzoic acid?
The canonical SMILES for 4-[(2-amino-3,3-dimethylbutanoyl)amino]-2-methoxybenzoic acid is COc1cc(NC(=O)C(N)C(C)(C)C)ccc1C(=O)O.
What is the InChIKey of 4-[(2-amino-3,3-dimethylbutanoyl)amino]-2-methoxybenzoic acid?
The InChIKey is GLLGRZNYGKBLLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-14(2,3)11(15)12(17)16-8-5-6-9(13(18)19)10(7-8)20-4/h5-7,11H,15H2,1-4H3,(H,16,17)(H,18,19).
What are the key properties of 4-[(2-amino-3,3-dimethylbutanoyl)amino]-2-methoxybenzoic acid?
4-[(2-amino-3,3-dimethylbutanoyl)amino]-2-methoxybenzoic acid has a molecular weight of 280.32 g/mol, XLogP of 1.71, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-3,3-dimethylbutanoyl)amino]-2-methoxybenzoic acid is sourced from PubChem (CID 107208073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).