(2R)-5-amino-2-[(2-fluoro-6-methoxybenzoyl)amino]-5-oxopentanoic acid

C13H15FN2O5 — CID 107829710

IUPAC(2R)-5-amino-2-[(2-fluoro-6-methoxybenzoyl)amino]-5-oxopentanoic acid
SMILESCOc1cccc(F)c1C(=O)N[C@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C13H15FN2O5/c1-21-9-4-2-3-7(14)11(9)12(18)16-8(13(19)20)5-6-10(15)17/h2-4,8H,5-6H2,1H3,(H2,15,17)(H,16,18)(H,19,20)/t8-/m1/s1
InChIKeyXDNRRDLWLDYPKZ-MRVPVSSYSA-N
MW298.27 g/mol
LogP0.28
Rot. Bonds7

About (2R)-5-amino-2-[(2-fluoro-6-methoxybenzoyl)amino]-5-oxopentanoic acid

(2R)-5-amino-2-[(2-fluoro-6-methoxybenzoyl)amino]-5-oxopentanoic acid (PubChem CID 107829710) has the molecular formula C13H15FN2O5 and a molecular weight of 298.27 g/mol. Its IUPAC name is (2R)-5-amino-2-[(2-fluoro-6-methoxybenzoyl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(2R)-5-amino-2-[(2-fluoro-6-methoxybenzoyl)amino]-5-oxopentanoic acid
PubChem CID107829710
Molecular FormulaC13H15FN2O5
Molecular Weight298.27 g/mol
Exact Mass298.10
IUPAC Name(2R)-5-amino-2-[(2-fluoro-6-methoxybenzoyl)amino]-5-oxopentanoic acid
SMILESCOc1cccc(F)c1C(=O)N[C@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C13H15FN2O5/c1-21-9-4-2-3-7(14)11(9)12(18)16-8(13(19)20)5-6-10(15)17/h2-4,8H,5-6H2,1H3,(H2,15,17)(H,16,18)(H,19,20)/t8-/m1/s1
InChIKeyXDNRRDLWLDYPKZ-MRVPVSSYSA-N
XLogP0.28
TPSA118.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.27
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(2,6-difluorobenzoyl)amino]-5-methoxy-5-oxopentanoic acid
CID 107820162
(2R)-2-[(2,6-difluorobenzoyl)amino]-5-methoxy-5-oxopentanoic acid
CID 107820571
N-(1-amino-1-hydroxyiminopentan-2-yl)-2-fluoro-6-methoxybenzamide
CID 77069364
(2S)-5-amino-5-oxo-2-[(2,4,6-trifluorobenzoyl)amino]pentanoic acid
CID 65101287
(2S)-5-amino-2-[(5-chloro-2-methoxybenzoyl)amino]-5-oxopentanoic acid
CID 29054204
(2S)-5-amino-2-[(3,5-dimethoxy-4-phenylbenzoyl)amino]-5-oxopentanoic acid
CID 67332121
(2S)-5-amino-2-[[2-(2-fluorophenoxy)acetyl]amino]-5-oxopentanoic acid
CID 61145013
(2R)-5-amino-2-[[2-(2-fluorophenoxy)acetyl]amino]-5-oxopentanoic acid
CID 107829798
(2R)-2-[(2-fluoro-6-methoxybenzoyl)amino]-3-methylbutanoic acid
CID 79010897
(2S)-2-[(2-fluoro-6-hydroxybenzoyl)amino]pentanedioic acid
CID 107013469
N-(1-aminopropan-2-yl)-2-fluoro-6-methoxybenzamide
CID 65434046
2-[(2-fluoro-6-methoxybenzoyl)amino]-3-hydroxybutanoic acid
CID 65432052

Frequently Asked Questions

What is the IUPAC name of (2R)-5-amino-2-[(2-fluoro-6-methoxybenzoyl)amino]-5-oxopentanoic acid?
The IUPAC name of (2R)-5-amino-2-[(2-fluoro-6-methoxybenzoyl)amino]-5-oxopentanoic acid (CID 107829710) is (2R)-5-amino-2-[(2-fluoro-6-methoxybenzoyl)amino]-5-oxopentanoic acid.
What is the SMILES notation for (2R)-5-amino-2-[(2-fluoro-6-methoxybenzoyl)amino]-5-oxopentanoic acid?
The canonical SMILES for (2R)-5-amino-2-[(2-fluoro-6-methoxybenzoyl)amino]-5-oxopentanoic acid is COc1cccc(F)c1C(=O)N[C@H](CCC(N)=O)C(=O)O.
What is the InChIKey of (2R)-5-amino-2-[(2-fluoro-6-methoxybenzoyl)amino]-5-oxopentanoic acid?
The InChIKey is XDNRRDLWLDYPKZ-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H15FN2O5/c1-21-9-4-2-3-7(14)11(9)12(18)16-8(13(19)20)5-6-10(15)17/h2-4,8H,5-6H2,1H3,(H2,15,17)(H,16,18)(H,19,20)/t8-/m1/s1.
What are the key properties of (2R)-5-amino-2-[(2-fluoro-6-methoxybenzoyl)amino]-5-oxopentanoic acid?
(2R)-5-amino-2-[(2-fluoro-6-methoxybenzoyl)amino]-5-oxopentanoic acid has a molecular weight of 298.27 g/mol, XLogP of 0.28, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-amino-2-[(2-fluoro-6-methoxybenzoyl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 107829710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).