methyl (2R,3S)-2-[[2-[2-(4-chlorophenoxy)acetyl]oxyacetyl]amino]-3-methylpentanoate

C17H22ClNO6 — CID 9229423

IUPACmethyl (2R,3S)-2-[[2-[2-(4-chlorophenoxy)acetyl]oxyacetyl]amino]-3-methylpentanoate
SMILESCC[C@H](C)C(NC(=O)COC(=O)COc1ccc(Cl)cc1)C(=O)OC
InChIInChI=1S/C17H22ClNO6/c1-4-11(2)16(17(22)23-3)19-14(20)9-25-15(21)10-24-13-7-5-12(18)6-8-13/h5-8,11,16H,4,9-10H2,1-3H3,(H,19,20)/t11-,16?/m0/s1
InChIKeyRVEKUGXKAIGLOB-CHPOKUKFSA-N
MW371.82 g/mol
LogP1.97
Rot. Bonds9

About methyl (2R,3S)-2-[[2-[2-(4-chlorophenoxy)acetyl]oxyacetyl]amino]-3-methylpentanoate

methyl (2R,3S)-2-[[2-[2-(4-chlorophenoxy)acetyl]oxyacetyl]amino]-3-methylpentanoate (PubChem CID 9229423) has the molecular formula C17H22ClNO6 and a molecular weight of 371.82 g/mol. Its IUPAC name is methyl (2R,3S)-2-[[2-[2-(4-chlorophenoxy)acetyl]oxyacetyl]amino]-3-methylpentanoate.

Molecular Properties

Compound Namemethyl (2R,3S)-2-[[2-[2-(4-chlorophenoxy)acetyl]oxyacetyl]amino]-3-methylpentanoate
PubChem CID9229423
Molecular FormulaC17H22ClNO6
Molecular Weight371.82 g/mol
Exact Mass371.11
IUPAC Namemethyl (2R,3S)-2-[[2-[2-(4-chlorophenoxy)acetyl]oxyacetyl]amino]-3-methylpentanoate
SMILESCC[C@H](C)C(NC(=O)COC(=O)COc1ccc(Cl)cc1)C(=O)OC
InChIInChI=1S/C17H22ClNO6/c1-4-11(2)16(17(22)23-3)19-14(20)9-25-15(21)10-24-13-7-5-12(18)6-8-13/h5-8,11,16H,4,9-10H2,1-3H3,(H,19,20)/t11-,16?/m0/s1
InChIKeyRVEKUGXKAIGLOB-CHPOKUKFSA-N
XLogP1.97
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.82
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl (2R,3S)-2-[[2-[2-(4-chlorophenoxy)acetyl]oxyacetyl]amino]-3-methylpentanoate with MolForge

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Related Compounds

methyl (2R,3R)-2-[[2-[2-(4-chlorophenyl)acetyl]oxyacetyl]amino]-3-methylpentanoate
CID 9229352
[2-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 4-chlorobenzoate
CID 18200968
methyl (2S,3S)-2-[[2-[3-(4-chlorophenyl)sulfanylpropanoyloxy]acetyl]amino]-3-methylpentanoate
CID 8578355
methyl 2-[[2-(4-iodophenoxy)acetyl]amino]-3-methylpentanoate
CID 112791594
[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-(4-chlorophenoxy)acetate
CID 8579581
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(4-chlorophenoxy)acetate
CID 2521079
[2-oxo-2-(pentan-3-ylamino)ethyl] 2-(4-methoxyphenoxy)acetate
CID 2590405
[2-[[(2S,3R)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] 1-(4-chlorophenyl)cyclopropane-1-carboxylate
CID 8642318
methyl 2-[[2-(3,4-dimethylphenoxy)acetyl]amino]-3-methylpentanoate
CID 86977054
methyl (2S,3S)-2-[[2-[2-(3,4-dichlorophenyl)acetyl]oxyacetyl]amino]-3-methylpentanoate
CID 9203213
[2-[[(2R,3R)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] 4-propoxybenzoate
CID 8842588
[2-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 2,4-dichlorobenzoate
CID 18202404

Frequently Asked Questions

What is the IUPAC name of methyl (2R,3S)-2-[[2-[2-(4-chlorophenoxy)acetyl]oxyacetyl]amino]-3-methylpentanoate?
The IUPAC name of methyl (2R,3S)-2-[[2-[2-(4-chlorophenoxy)acetyl]oxyacetyl]amino]-3-methylpentanoate (CID 9229423) is methyl (2R,3S)-2-[[2-[2-(4-chlorophenoxy)acetyl]oxyacetyl]amino]-3-methylpentanoate.
What is the SMILES notation for methyl (2R,3S)-2-[[2-[2-(4-chlorophenoxy)acetyl]oxyacetyl]amino]-3-methylpentanoate?
The canonical SMILES for methyl (2R,3S)-2-[[2-[2-(4-chlorophenoxy)acetyl]oxyacetyl]amino]-3-methylpentanoate is CC[C@H](C)C(NC(=O)COC(=O)COc1ccc(Cl)cc1)C(=O)OC.
What is the InChIKey of methyl (2R,3S)-2-[[2-[2-(4-chlorophenoxy)acetyl]oxyacetyl]amino]-3-methylpentanoate?
The InChIKey is RVEKUGXKAIGLOB-CHPOKUKFSA-N. The full InChI is InChI=1S/C17H22ClNO6/c1-4-11(2)16(17(22)23-3)19-14(20)9-25-15(21)10-24-13-7-5-12(18)6-8-13/h5-8,11,16H,4,9-10H2,1-3H3,(H,19,20)/t11-,16?/m0/s1.
What are the key properties of methyl (2R,3S)-2-[[2-[2-(4-chlorophenoxy)acetyl]oxyacetyl]amino]-3-methylpentanoate?
methyl (2R,3S)-2-[[2-[2-(4-chlorophenoxy)acetyl]oxyacetyl]amino]-3-methylpentanoate has a molecular weight of 371.82 g/mol, XLogP of 1.97, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,3S)-2-[[2-[2-(4-chlorophenoxy)acetyl]oxyacetyl]amino]-3-methylpentanoate is sourced from PubChem (CID 9229423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).