methyl (2R)-2-[(2,4-difluoro-5-methylbenzoyl)amino]-3-methoxypropanoate

C13H15F2NO4 — CID 97340531

IUPACmethyl (2R)-2-[(2,4-difluoro-5-methylbenzoyl)amino]-3-methoxypropanoate
SMILESCOC[C@@H](NC(=O)c1cc(C)c(F)cc1F)C(=O)OC
InChIInChI=1S/C13H15F2NO4/c1-7-4-8(10(15)5-9(7)14)12(17)16-11(6-19-2)13(18)20-3/h4-5,11H,6H2,1-3H3,(H,16,17)/t11-/m1/s1
InChIKeyZNRZFUKBGBXVHU-LLVKDONJSA-N
MW287.26 g/mol
LogP1.19
Rot. Bonds5

About methyl (2R)-2-[(2,4-difluoro-5-methylbenzoyl)amino]-3-methoxypropanoate

methyl (2R)-2-[(2,4-difluoro-5-methylbenzoyl)amino]-3-methoxypropanoate (PubChem CID 97340531) has the molecular formula C13H15F2NO4 and a molecular weight of 287.26 g/mol. Its IUPAC name is methyl (2R)-2-[(2,4-difluoro-5-methylbenzoyl)amino]-3-methoxypropanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[(2,4-difluoro-5-methylbenzoyl)amino]-3-methoxypropanoate
PubChem CID97340531
Molecular FormulaC13H15F2NO4
Molecular Weight287.26 g/mol
Exact Mass287.10
IUPAC Namemethyl (2R)-2-[(2,4-difluoro-5-methylbenzoyl)amino]-3-methoxypropanoate
SMILESCOC[C@@H](NC(=O)c1cc(C)c(F)cc1F)C(=O)OC
InChIInChI=1S/C13H15F2NO4/c1-7-4-8(10(15)5-9(7)14)12(17)16-11(6-19-2)13(18)20-3/h4-5,11H,6H2,1-3H3,(H,16,17)/t11-/m1/s1
InChIKeyZNRZFUKBGBXVHU-LLVKDONJSA-N
XLogP1.19
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.26
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-difluoro-N-methoxy-5-methylbenzamide
CID 23394047
methyl 2-[(2-bromo-5-methoxybenzoyl)amino]-3-methoxypropanoate
CID 75448580
N-(2-amino-1-cyclopropylethyl)-2,4-difluoro-5-methylbenzamide;hydrochloride
CID 119613251
N-[(2R)-1-amino-3-methoxy-1-oxopropan-2-yl]-4-bromo-2,5-dimethylbenzamide
CID 97253044
dimethyl (2R)-2-[(2-fluoro-5-iodobenzoyl)amino]pentanedioate
CID 67868101
methyl 2-[[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]amino]-3-methoxypropanoate
CID 129315065
2,4-difluoro-N-(1-hydroxypentan-3-yl)-5-methylbenzamide
CID 109478990
methyl 2-[(4-fluoro-2-methylbenzoyl)amino]-4-methylpentanoate
CID 115745150
methyl (2S)-2-[(4-aminonaphthalene-1-carbonyl)amino]-3-methoxypropanoate
CID 59948439
methyl (2R)-2-[(4-aminonaphthalene-1-carbonyl)amino]-3-methoxypropanoate
CID 90972320
N-(1-cyanobutyl)-2,4-difluoro-5-methylbenzamide
CID 113249764
methyl 2-[(4-amino-3,5-dichlorobenzoyl)amino]-3-methoxypropanoate
CID 122135859

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[(2,4-difluoro-5-methylbenzoyl)amino]-3-methoxypropanoate?
The IUPAC name of methyl (2R)-2-[(2,4-difluoro-5-methylbenzoyl)amino]-3-methoxypropanoate (CID 97340531) is methyl (2R)-2-[(2,4-difluoro-5-methylbenzoyl)amino]-3-methoxypropanoate.
What is the SMILES notation for methyl (2R)-2-[(2,4-difluoro-5-methylbenzoyl)amino]-3-methoxypropanoate?
The canonical SMILES for methyl (2R)-2-[(2,4-difluoro-5-methylbenzoyl)amino]-3-methoxypropanoate is COC[C@@H](NC(=O)c1cc(C)c(F)cc1F)C(=O)OC.
What is the InChIKey of methyl (2R)-2-[(2,4-difluoro-5-methylbenzoyl)amino]-3-methoxypropanoate?
The InChIKey is ZNRZFUKBGBXVHU-LLVKDONJSA-N. The full InChI is InChI=1S/C13H15F2NO4/c1-7-4-8(10(15)5-9(7)14)12(17)16-11(6-19-2)13(18)20-3/h4-5,11H,6H2,1-3H3,(H,16,17)/t11-/m1/s1.
What are the key properties of methyl (2R)-2-[(2,4-difluoro-5-methylbenzoyl)amino]-3-methoxypropanoate?
methyl (2R)-2-[(2,4-difluoro-5-methylbenzoyl)amino]-3-methoxypropanoate has a molecular weight of 287.26 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[(2,4-difluoro-5-methylbenzoyl)amino]-3-methoxypropanoate is sourced from PubChem (CID 97340531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).