methyl (2R)-2-[[2-[2-(4-chlorophenyl)acetyl]oxyacetyl]amino]-4-methylpentanoate

C17H22ClNO5 — CID 9229346

IUPACmethyl (2R)-2-[[2-[2-(4-chlorophenyl)acetyl]oxyacetyl]amino]-4-methylpentanoate
SMILESCOC(=O)[C@@H](CC(C)C)NC(=O)COC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C17H22ClNO5/c1-11(2)8-14(17(22)23-3)19-15(20)10-24-16(21)9-12-4-6-13(18)7-5-12/h4-7,11,14H,8-10H2,1-3H3,(H,19,20)/t14-/m1/s1
InChIKeyHFRYCVLMRKDMRN-CQSZACIVSA-N
MW355.82 g/mol
LogP2.13
Rot. Bonds8

About methyl (2R)-2-[[2-[2-(4-chlorophenyl)acetyl]oxyacetyl]amino]-4-methylpentanoate

methyl (2R)-2-[[2-[2-(4-chlorophenyl)acetyl]oxyacetyl]amino]-4-methylpentanoate (PubChem CID 9229346) has the molecular formula C17H22ClNO5 and a molecular weight of 355.82 g/mol. Its IUPAC name is methyl (2R)-2-[[2-[2-(4-chlorophenyl)acetyl]oxyacetyl]amino]-4-methylpentanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[[2-[2-(4-chlorophenyl)acetyl]oxyacetyl]amino]-4-methylpentanoate
PubChem CID9229346
Molecular FormulaC17H22ClNO5
Molecular Weight355.82 g/mol
Exact Mass355.12
IUPAC Namemethyl (2R)-2-[[2-[2-(4-chlorophenyl)acetyl]oxyacetyl]amino]-4-methylpentanoate
SMILESCOC(=O)[C@@H](CC(C)C)NC(=O)COC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C17H22ClNO5/c1-11(2)8-14(17(22)23-3)19-15(20)10-24-16(21)9-12-4-6-13(18)7-5-12/h4-7,11,14H,8-10H2,1-3H3,(H,19,20)/t14-/m1/s1
InChIKeyHFRYCVLMRKDMRN-CQSZACIVSA-N
XLogP2.13
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.82
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (2S)-2-[[2-[2-(5-chloro-2-methoxyphenyl)acetyl]oxyacetyl]amino]-4-methylpentanoate
CID 8616671
methyl (2R)-2-[[2-[3-(4-chlorophenyl)sulfanylpropanoyloxy]acetyl]amino]-4-methylpentanoate
CID 8578350
methyl (2R,3R)-2-[[2-[2-(4-chlorophenyl)acetyl]oxyacetyl]amino]-3-methylpentanoate
CID 9229352
methyl (2R)-2-[[2-[2-(2-chloro-6-fluorophenyl)acetyl]oxyacetyl]amino]-4-methylpentanoate
CID 9202776
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-(4-chlorophenyl)acetate
CID 2390853
[2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 8579291
methyl 2-[(4-chlorophenyl)methylamino]-4-methylpentanoate
CID 43230599
[2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 8578991
methyl (2S)-2-[[2-(4-chloro-2-methoxyphenyl)acetyl]amino]-4-methylpentanoate
CID 57259362
methyl (2S)-2-[[2-(3-chloro-4-methoxyphenyl)acetyl]amino]-4-methylpentanoate
CID 174326365
[2-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 1-(4-chlorobenzoyl)piperidine-4-carboxylate
CID 46607461
[2-(benzhydrylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 4852188

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[[2-[2-(4-chlorophenyl)acetyl]oxyacetyl]amino]-4-methylpentanoate?
The IUPAC name of methyl (2R)-2-[[2-[2-(4-chlorophenyl)acetyl]oxyacetyl]amino]-4-methylpentanoate (CID 9229346) is methyl (2R)-2-[[2-[2-(4-chlorophenyl)acetyl]oxyacetyl]amino]-4-methylpentanoate.
What is the SMILES notation for methyl (2R)-2-[[2-[2-(4-chlorophenyl)acetyl]oxyacetyl]amino]-4-methylpentanoate?
The canonical SMILES for methyl (2R)-2-[[2-[2-(4-chlorophenyl)acetyl]oxyacetyl]amino]-4-methylpentanoate is COC(=O)[C@@H](CC(C)C)NC(=O)COC(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of methyl (2R)-2-[[2-[2-(4-chlorophenyl)acetyl]oxyacetyl]amino]-4-methylpentanoate?
The InChIKey is HFRYCVLMRKDMRN-CQSZACIVSA-N. The full InChI is InChI=1S/C17H22ClNO5/c1-11(2)8-14(17(22)23-3)19-15(20)10-24-16(21)9-12-4-6-13(18)7-5-12/h4-7,11,14H,8-10H2,1-3H3,(H,19,20)/t14-/m1/s1.
What are the key properties of methyl (2R)-2-[[2-[2-(4-chlorophenyl)acetyl]oxyacetyl]amino]-4-methylpentanoate?
methyl (2R)-2-[[2-[2-(4-chlorophenyl)acetyl]oxyacetyl]amino]-4-methylpentanoate has a molecular weight of 355.82 g/mol, XLogP of 2.13, 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-(4-chlorophenyl)acetyl]oxyacetyl]amino]-4-methylpentanoate is sourced from PubChem (CID 9229346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).