(2R)-2-[(3-fluoro-4-methoxybenzoyl)amino]-3,3-dimethylbutanoic acid

C14H18FNO4 — CID 103926690

IUPAC(2R)-2-[(3-fluoro-4-methoxybenzoyl)amino]-3,3-dimethylbutanoic acid
SMILESCOc1ccc(C(=O)N[C@@H](C(=O)O)C(C)(C)C)cc1F
InChIInChI=1S/C14H18FNO4/c1-14(2,3)11(13(18)19)16-12(17)8-5-6-10(20-4)9(15)7-8/h5-7,11H,1-4H3,(H,16,17)(H,18,19)/t11-/m0/s1
InChIKeyRCUKIQJLEBFAAE-NSHDSACASA-N
MW283.30 g/mol
LogP2.06
Rot. Bonds4

About (2R)-2-[(3-fluoro-4-methoxybenzoyl)amino]-3,3-dimethylbutanoic acid

(2R)-2-[(3-fluoro-4-methoxybenzoyl)amino]-3,3-dimethylbutanoic acid (PubChem CID 103926690) has the molecular formula C14H18FNO4 and a molecular weight of 283.30 g/mol. Its IUPAC name is (2R)-2-[(3-fluoro-4-methoxybenzoyl)amino]-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-[(3-fluoro-4-methoxybenzoyl)amino]-3,3-dimethylbutanoic acid
PubChem CID103926690
Molecular FormulaC14H18FNO4
Molecular Weight283.30 g/mol
Exact Mass283.12
IUPAC Name(2R)-2-[(3-fluoro-4-methoxybenzoyl)amino]-3,3-dimethylbutanoic acid
SMILESCOc1ccc(C(=O)N[C@@H](C(=O)O)C(C)(C)C)cc1F
InChIInChI=1S/C14H18FNO4/c1-14(2,3)11(13(18)19)16-12(17)8-5-6-10(20-4)9(15)7-8/h5-7,11H,1-4H3,(H,16,17)(H,18,19)/t11-/m0/s1
InChIKeyRCUKIQJLEBFAAE-NSHDSACASA-N
XLogP2.06
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-2-[(3-fluoro-4-methoxybenzoyl)amino]-3,3-dimethylbutanoic acid with MolForge

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Related Compounds

(2R)-2-[(3,4-dimethoxybenzoyl)amino]-3,3-dimethylbutanoic acid
CID 103926824
(2S)-2-[(4-fluoro-3-methylbenzoyl)amino]-3,3-dimethylbutanoic acid
CID 55163831
2-[(4-fluoro-3-methylbenzoyl)amino]-3,3-dimethylbutanoic acid
CID 63209855
3-fluoro-4-methoxy-N-(1-phenylethyl)benzamide
CID 51194681
N-[1-(4-tert-butylphenyl)ethyl]-3-fluoro-4-methoxybenzamide
CID 133225143
(2S)-2-[(3-methoxybenzoyl)amino]-3,3-dimethylbutanoic acid
CID 61144488
3-[(3-fluoro-4-methoxybenzoyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66172564
3-fluoro-4-methoxy-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzamide
CID 27787598
2-[(3-fluoro-4-methoxybenzoyl)amino]-2-thiophen-2-ylacetic acid
CID 115283909
(E)-2-[(3-fluoro-4-methoxybenzoyl)amino]hex-4-enoic acid
CID 120694126
N-(4-bromobutan-2-yl)-3-fluoro-4-methoxybenzamide
CID 83179034
N-[(3S,4R)-1,4-dihydroxy-2-oxopentan-3-yl]-3-fluoro-4-methoxybenzamide
CID 58343292

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3-fluoro-4-methoxybenzoyl)amino]-3,3-dimethylbutanoic acid?
The IUPAC name of (2R)-2-[(3-fluoro-4-methoxybenzoyl)amino]-3,3-dimethylbutanoic acid (CID 103926690) is (2R)-2-[(3-fluoro-4-methoxybenzoyl)amino]-3,3-dimethylbutanoic acid.
What is the SMILES notation for (2R)-2-[(3-fluoro-4-methoxybenzoyl)amino]-3,3-dimethylbutanoic acid?
The canonical SMILES for (2R)-2-[(3-fluoro-4-methoxybenzoyl)amino]-3,3-dimethylbutanoic acid is COc1ccc(C(=O)N[C@@H](C(=O)O)C(C)(C)C)cc1F.
What is the InChIKey of (2R)-2-[(3-fluoro-4-methoxybenzoyl)amino]-3,3-dimethylbutanoic acid?
The InChIKey is RCUKIQJLEBFAAE-NSHDSACASA-N. The full InChI is InChI=1S/C14H18FNO4/c1-14(2,3)11(13(18)19)16-12(17)8-5-6-10(20-4)9(15)7-8/h5-7,11H,1-4H3,(H,16,17)(H,18,19)/t11-/m0/s1.
What are the key properties of (2R)-2-[(3-fluoro-4-methoxybenzoyl)amino]-3,3-dimethylbutanoic acid?
(2R)-2-[(3-fluoro-4-methoxybenzoyl)amino]-3,3-dimethylbutanoic acid has a molecular weight of 283.30 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3-fluoro-4-methoxybenzoyl)amino]-3,3-dimethylbutanoic acid is sourced from PubChem (CID 103926690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).