(2R)-2-[(4-amino-2-ethoxy-5-fluorobenzoyl)amino]-2-methylbutanoic acid

C14H19FN2O4 — CID 142416090

IUPAC(2R)-2-[(4-amino-2-ethoxy-5-fluorobenzoyl)amino]-2-methylbutanoic acid
SMILESCCOc1cc(N)c(F)cc1C(=O)N[C@](C)(CC)C(=O)O
InChIInChI=1S/C14H19FN2O4/c1-4-14(3,13(19)20)17-12(18)8-6-9(15)10(16)7-11(8)21-5-2/h6-7H,4-5,16H2,1-3H3,(H,17,18)(H,19,20)/t14-/m1/s1
InChIKeyFHXBRFOUPUEDQO-CQSZACIVSA-N
MW298.31 g/mol
LogP1.79
Rot. Bonds6

About (2R)-2-[(4-amino-2-ethoxy-5-fluorobenzoyl)amino]-2-methylbutanoic acid

(2R)-2-[(4-amino-2-ethoxy-5-fluorobenzoyl)amino]-2-methylbutanoic acid (PubChem CID 142416090) has the molecular formula C14H19FN2O4 and a molecular weight of 298.31 g/mol. Its IUPAC name is (2R)-2-[(4-amino-2-ethoxy-5-fluorobenzoyl)amino]-2-methylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-[(4-amino-2-ethoxy-5-fluorobenzoyl)amino]-2-methylbutanoic acid
PubChem CID142416090
Molecular FormulaC14H19FN2O4
Molecular Weight298.31 g/mol
Exact Mass298.13
IUPAC Name(2R)-2-[(4-amino-2-ethoxy-5-fluorobenzoyl)amino]-2-methylbutanoic acid
SMILESCCOc1cc(N)c(F)cc1C(=O)N[C@](C)(CC)C(=O)O
InChIInChI=1S/C14H19FN2O4/c1-4-14(3,13(19)20)17-12(18)8-6-9(15)10(16)7-11(8)21-5-2/h6-7H,4-5,16H2,1-3H3,(H,17,18)(H,19,20)/t14-/m1/s1
InChIKeyFHXBRFOUPUEDQO-CQSZACIVSA-N
XLogP1.79
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[(4-amino-5-bromo-2-ethoxybenzoyl)amino]-2-methylbutanoic acid
CID 142416074
(2S)-2-[(4-amino-5-chloro-2-ethoxybenzoyl)amino]-2-methylbutanoic acid
CID 142416082
(2S)-2-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-2-methylbutanoic acid
CID 142416073
(2R)-2-[(4-amino-5-iodo-2-methoxybenzoyl)amino]-2-methylbutanoic acid
CID 142416081
2-[(2,5-difluorobenzoyl)amino]-2-methylbutanoic acid
CID 79793272
2-[(5-chloro-2-fluorobenzoyl)amino]-2-methylbutanoic acid
CID 79792917
2-[(3,6-dichloropyridazine-4-carbonyl)amino]-2-methylbutanoic acid
CID 79792646
2-amino-N-(3-ethylpentan-3-yl)-4,5-difluorobenzamide
CID 65039606
2-[(2,4-dimethylbenzoyl)amino]-2-methylbutanoic acid
CID 79793464
2-methyl-2-(naphthalene-1-carbonylamino)butanoic acid
CID 79792523
2-[(2,5-dimethylbenzoyl)amino]-2-methylbutanoic acid
CID 79792717
2-[(4-amino-3,5-dichlorobenzoyl)amino]-2-methylbutanoic acid
CID 82832526

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-amino-2-ethoxy-5-fluorobenzoyl)amino]-2-methylbutanoic acid?
The IUPAC name of (2R)-2-[(4-amino-2-ethoxy-5-fluorobenzoyl)amino]-2-methylbutanoic acid (CID 142416090) is (2R)-2-[(4-amino-2-ethoxy-5-fluorobenzoyl)amino]-2-methylbutanoic acid.
What is the SMILES notation for (2R)-2-[(4-amino-2-ethoxy-5-fluorobenzoyl)amino]-2-methylbutanoic acid?
The canonical SMILES for (2R)-2-[(4-amino-2-ethoxy-5-fluorobenzoyl)amino]-2-methylbutanoic acid is CCOc1cc(N)c(F)cc1C(=O)N[C@](C)(CC)C(=O)O.
What is the InChIKey of (2R)-2-[(4-amino-2-ethoxy-5-fluorobenzoyl)amino]-2-methylbutanoic acid?
The InChIKey is FHXBRFOUPUEDQO-CQSZACIVSA-N. The full InChI is InChI=1S/C14H19FN2O4/c1-4-14(3,13(19)20)17-12(18)8-6-9(15)10(16)7-11(8)21-5-2/h6-7H,4-5,16H2,1-3H3,(H,17,18)(H,19,20)/t14-/m1/s1.
What are the key properties of (2R)-2-[(4-amino-2-ethoxy-5-fluorobenzoyl)amino]-2-methylbutanoic acid?
(2R)-2-[(4-amino-2-ethoxy-5-fluorobenzoyl)amino]-2-methylbutanoic acid has a molecular weight of 298.31 g/mol, XLogP of 1.79, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-amino-2-ethoxy-5-fluorobenzoyl)amino]-2-methylbutanoic acid is sourced from PubChem (CID 142416090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).