(2S)-2-[(2-methoxybenzoyl)amino]-3,3-dimethylbutanoic acid

C14H19NO4 — CID 61143653

IUPAC(2S)-2-[(2-methoxybenzoyl)amino]-3,3-dimethylbutanoic acid
SMILESCOc1ccccc1C(=O)N[C@H](C(=O)O)C(C)(C)C
InChIInChI=1S/C14H19NO4/c1-14(2,3)11(13(17)18)15-12(16)9-7-5-6-8-10(9)19-4/h5-8,11H,1-4H3,(H,15,16)(H,17,18)/t11-/m1/s1
InChIKeyATJIIGRWSFBTFP-LLVKDONJSA-N
MW265.31 g/mol
LogP1.92
Rot. Bonds4

About (2S)-2-[(2-methoxybenzoyl)amino]-3,3-dimethylbutanoic acid

(2S)-2-[(2-methoxybenzoyl)amino]-3,3-dimethylbutanoic acid (PubChem CID 61143653) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is (2S)-2-[(2-methoxybenzoyl)amino]-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name(2S)-2-[(2-methoxybenzoyl)amino]-3,3-dimethylbutanoic acid
PubChem CID61143653
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name(2S)-2-[(2-methoxybenzoyl)amino]-3,3-dimethylbutanoic acid
SMILESCOc1ccccc1C(=O)N[C@H](C(=O)O)C(C)(C)C
InChIInChI=1S/C14H19NO4/c1-14(2,3)11(13(17)18)15-12(16)9-7-5-6-8-10(9)19-4/h5-8,11H,1-4H3,(H,15,16)(H,17,18)/t11-/m1/s1
InChIKeyATJIIGRWSFBTFP-LLVKDONJSA-N
XLogP1.92
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(2,4-dimethoxybenzoyl)amino]-3,3-dimethylbutanoic acid
CID 61145178
(2R)-2-[(3-methoxypyridine-4-carbonyl)amino]-3,3-dimethylbutanoic acid
CID 105063303
(2R)-2-[(2-iodobenzoyl)amino]-3,3-dimethylbutanoic acid
CID 113353045
2-methoxy-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 94867704
(2R)-2-[(3,4-dimethoxybenzoyl)amino]-3,3-dimethylbutanoic acid
CID 103926824
N-(1-bromo-4,4-dimethylpentan-3-yl)-2-methoxybenzamide
CID 106356172
(3R)-3-[(2-methoxybenzoyl)amino]butanoic acid
CID 93262749
(2S)-2-[(2-methoxybenzoyl)amino]-4-methylpentanoic acid
CID 42255886
2-methoxy-N-[(3S)-4-methylpent-1-yn-3-yl]benzamide
CID 167135250
2-[[2-[(2-methoxybenzoyl)amino]-3-methylbutanoyl]-methylamino]propanoic acid
CID 119358737
N-butan-2-yl-2-methoxybenzamide
CID 3117660
N-[(1R)-2-hydroxy-1-phenylethyl]-2-methoxybenzamide
CID 39370043

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-methoxybenzoyl)amino]-3,3-dimethylbutanoic acid?
The IUPAC name of (2S)-2-[(2-methoxybenzoyl)amino]-3,3-dimethylbutanoic acid (CID 61143653) is (2S)-2-[(2-methoxybenzoyl)amino]-3,3-dimethylbutanoic acid.
What is the SMILES notation for (2S)-2-[(2-methoxybenzoyl)amino]-3,3-dimethylbutanoic acid?
The canonical SMILES for (2S)-2-[(2-methoxybenzoyl)amino]-3,3-dimethylbutanoic acid is COc1ccccc1C(=O)N[C@H](C(=O)O)C(C)(C)C.
What is the InChIKey of (2S)-2-[(2-methoxybenzoyl)amino]-3,3-dimethylbutanoic acid?
The InChIKey is ATJIIGRWSFBTFP-LLVKDONJSA-N. The full InChI is InChI=1S/C14H19NO4/c1-14(2,3)11(13(17)18)15-12(16)9-7-5-6-8-10(9)19-4/h5-8,11H,1-4H3,(H,15,16)(H,17,18)/t11-/m1/s1.
What are the key properties of (2S)-2-[(2-methoxybenzoyl)amino]-3,3-dimethylbutanoic acid?
(2S)-2-[(2-methoxybenzoyl)amino]-3,3-dimethylbutanoic acid has a molecular weight of 265.31 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-methoxybenzoyl)amino]-3,3-dimethylbutanoic acid is sourced from PubChem (CID 61143653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).