methyl (2R)-2-[[2-[2-(2-chloro-6-fluorophenyl)acetyl]oxyacetyl]amino]-4-methylpentanoate

C17H21ClFNO5 — CID 9202776

IUPACmethyl (2R)-2-[[2-[2-(2-chloro-6-fluorophenyl)acetyl]oxyacetyl]amino]-4-methylpentanoate
SMILESCOC(=O)[C@@H](CC(C)C)NC(=O)COC(=O)Cc1c(F)cccc1Cl
InChIInChI=1S/C17H21ClFNO5/c1-10(2)7-14(17(23)24-3)20-15(21)9-25-16(22)8-11-12(18)5-4-6-13(11)19/h4-6,10,14H,7-9H2,1-3H3,(H,20,21)/t14-/m1/s1
InChIKeyIIXHTDOOKAZGJC-CQSZACIVSA-N
MW373.81 g/mol
LogP2.27
Rot. Bonds8

About methyl (2R)-2-[[2-[2-(2-chloro-6-fluorophenyl)acetyl]oxyacetyl]amino]-4-methylpentanoate

methyl (2R)-2-[[2-[2-(2-chloro-6-fluorophenyl)acetyl]oxyacetyl]amino]-4-methylpentanoate (PubChem CID 9202776) has the molecular formula C17H21ClFNO5 and a molecular weight of 373.81 g/mol. Its IUPAC name is methyl (2R)-2-[[2-[2-(2-chloro-6-fluorophenyl)acetyl]oxyacetyl]amino]-4-methylpentanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[[2-[2-(2-chloro-6-fluorophenyl)acetyl]oxyacetyl]amino]-4-methylpentanoate
PubChem CID9202776
Molecular FormulaC17H21ClFNO5
Molecular Weight373.81 g/mol
Exact Mass373.11
IUPAC Namemethyl (2R)-2-[[2-[2-(2-chloro-6-fluorophenyl)acetyl]oxyacetyl]amino]-4-methylpentanoate
SMILESCOC(=O)[C@@H](CC(C)C)NC(=O)COC(=O)Cc1c(F)cccc1Cl
InChIInChI=1S/C17H21ClFNO5/c1-10(2)7-14(17(23)24-3)20-15(21)9-25-16(22)8-11-12(18)5-4-6-13(11)19/h4-6,10,14H,7-9H2,1-3H3,(H,20,21)/t14-/m1/s1
InChIKeyIIXHTDOOKAZGJC-CQSZACIVSA-N
XLogP2.27
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.81
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl (2R)-2-[[2-[2-(2-chloro-6-fluorophenyl)acetyl]oxyacetyl]amino]-4-methylpentanoate with MolForge

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Related Compounds

[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-(2-chloro-6-fluorophenyl)acetate
CID 2435833
[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
CID 7718405
methyl (2R)-2-[[2-[2-(4-chlorophenyl)acetyl]oxyacetyl]amino]-4-methylpentanoate
CID 9229346
[2-[[(1R)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
CID 7718188
methyl (2S)-2-[[2-[2-(5-chloro-2-methoxyphenyl)acetyl]oxyacetyl]amino]-4-methylpentanoate
CID 8616671
[2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
CID 7718355
[2-[[(2R)-1-methoxy-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] 2-chloro-4,5-difluorobenzoate
CID 9229704
methyl 2-[[2-(2-fluorophenoxy)acetyl]amino]-4-methylpentanoate
CID 43404277
[2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
CID 7718377
[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
CID 7718250
methyl 2-[[2-[2-(2-chloro-6-fluorophenyl)acetyl]oxyacetyl]amino]benzoate
CID 7718380
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
CID 2490465

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[[2-[2-(2-chloro-6-fluorophenyl)acetyl]oxyacetyl]amino]-4-methylpentanoate?
The IUPAC name of methyl (2R)-2-[[2-[2-(2-chloro-6-fluorophenyl)acetyl]oxyacetyl]amino]-4-methylpentanoate (CID 9202776) is methyl (2R)-2-[[2-[2-(2-chloro-6-fluorophenyl)acetyl]oxyacetyl]amino]-4-methylpentanoate.
What is the SMILES notation for methyl (2R)-2-[[2-[2-(2-chloro-6-fluorophenyl)acetyl]oxyacetyl]amino]-4-methylpentanoate?
The canonical SMILES for methyl (2R)-2-[[2-[2-(2-chloro-6-fluorophenyl)acetyl]oxyacetyl]amino]-4-methylpentanoate is COC(=O)[C@@H](CC(C)C)NC(=O)COC(=O)Cc1c(F)cccc1Cl.
What is the InChIKey of methyl (2R)-2-[[2-[2-(2-chloro-6-fluorophenyl)acetyl]oxyacetyl]amino]-4-methylpentanoate?
The InChIKey is IIXHTDOOKAZGJC-CQSZACIVSA-N. The full InChI is InChI=1S/C17H21ClFNO5/c1-10(2)7-14(17(23)24-3)20-15(21)9-25-16(22)8-11-12(18)5-4-6-13(11)19/h4-6,10,14H,7-9H2,1-3H3,(H,20,21)/t14-/m1/s1.
What are the key properties of methyl (2R)-2-[[2-[2-(2-chloro-6-fluorophenyl)acetyl]oxyacetyl]amino]-4-methylpentanoate?
methyl (2R)-2-[[2-[2-(2-chloro-6-fluorophenyl)acetyl]oxyacetyl]amino]-4-methylpentanoate has a molecular weight of 373.81 g/mol, XLogP of 2.27, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[[2-[2-(2-chloro-6-fluorophenyl)acetyl]oxyacetyl]amino]-4-methylpentanoate is sourced from PubChem (CID 9202776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).