methyl (2R)-2-[[(3R)-3,7-dimethyloct-6-enoyl]amino]-2-phenylacetate

C19H27NO3 — CID 10781755

IUPACmethyl (2R)-2-[[(3R)-3,7-dimethyloct-6-enoyl]amino]-2-phenylacetate
SMILESCOC(=O)[C@H](NC(=O)C[C@H](C)CCC=C(C)C)c1ccccc1
InChIInChI=1S/C19H27NO3/c1-14(2)9-8-10-15(3)13-17(21)20-18(19(22)23-4)16-11-6-5-7-12-16/h5-7,9,11-12,15,18H,8,10,13H2,1-4H3,(H,20,21)/t15-,18-/m1/s1
InChIKeyFYEREEUDYBVCHF-CRAIPNDOSA-N
MW317.43 g/mol
LogP3.79
Rot. Bonds8

About methyl (2R)-2-[[(3R)-3,7-dimethyloct-6-enoyl]amino]-2-phenylacetate

methyl (2R)-2-[[(3R)-3,7-dimethyloct-6-enoyl]amino]-2-phenylacetate (PubChem CID 10781755) has the molecular formula C19H27NO3 and a molecular weight of 317.43 g/mol. Its IUPAC name is methyl (2R)-2-[[(3R)-3,7-dimethyloct-6-enoyl]amino]-2-phenylacetate.

Molecular Properties

Compound Namemethyl (2R)-2-[[(3R)-3,7-dimethyloct-6-enoyl]amino]-2-phenylacetate
PubChem CID10781755
Molecular FormulaC19H27NO3
Molecular Weight317.43 g/mol
Exact Mass317.20
IUPAC Namemethyl (2R)-2-[[(3R)-3,7-dimethyloct-6-enoyl]amino]-2-phenylacetate
SMILESCOC(=O)[C@H](NC(=O)C[C@H](C)CCC=C(C)C)c1ccccc1
InChIInChI=1S/C19H27NO3/c1-14(2)9-8-10-15(3)13-17(21)20-18(19(22)23-4)16-11-6-5-7-12-16/h5-7,9,11-12,15,18H,8,10,13H2,1-4H3,(H,20,21)/t15-,18-/m1/s1
InChIKeyFYEREEUDYBVCHF-CRAIPNDOSA-N
XLogP3.79
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(3-methylpentanoylamino)-2-phenylacetate
CID 85168075
methyl 2-(5-aminohexanoylamino)-2-phenylacetate
CID 82851192
3,7-dimethyloct-6-enyl N-(1-phenylethyl)carbamate
CID 146442229
methyl 2-[[2-(methylamino)acetyl]amino]-2-phenylacetate
CID 23654473
methyl (2R)-2-acetamido-2-phenylacetate
CID 10921683
3-[(2-methoxy-2-oxo-1-phenylethyl)amino]butanoic acid
CID 55036497
methyl 2-(4-aminobutanoylamino)-2-phenylacetate;hydrochloride
CID 119280894
methyl 2-phenyl-2-[3-(propan-2-ylamino)propanoylamino]acetate
CID 62111192
methyl (2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-phenylacetate;hydrochloride
CID 142643304
methyl 2-phenyl-2-(propan-2-yloxycarbonylamino)acetate
CID 62115268
methyl (2R)-2-[[(2S)-2-hydroxy-4-methylpentanoyl]amino]-2-phenylacetate
CID 10660316
methyl 2-(2-aminopentanoylamino)-2-phenylacetate
CID 62111189

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[[(3R)-3,7-dimethyloct-6-enoyl]amino]-2-phenylacetate?
The IUPAC name of methyl (2R)-2-[[(3R)-3,7-dimethyloct-6-enoyl]amino]-2-phenylacetate (CID 10781755) is methyl (2R)-2-[[(3R)-3,7-dimethyloct-6-enoyl]amino]-2-phenylacetate.
What is the SMILES notation for methyl (2R)-2-[[(3R)-3,7-dimethyloct-6-enoyl]amino]-2-phenylacetate?
The canonical SMILES for methyl (2R)-2-[[(3R)-3,7-dimethyloct-6-enoyl]amino]-2-phenylacetate is COC(=O)[C@H](NC(=O)C[C@H](C)CCC=C(C)C)c1ccccc1.
What is the InChIKey of methyl (2R)-2-[[(3R)-3,7-dimethyloct-6-enoyl]amino]-2-phenylacetate?
The InChIKey is FYEREEUDYBVCHF-CRAIPNDOSA-N. The full InChI is InChI=1S/C19H27NO3/c1-14(2)9-8-10-15(3)13-17(21)20-18(19(22)23-4)16-11-6-5-7-12-16/h5-7,9,11-12,15,18H,8,10,13H2,1-4H3,(H,20,21)/t15-,18-/m1/s1.
What are the key properties of methyl (2R)-2-[[(3R)-3,7-dimethyloct-6-enoyl]amino]-2-phenylacetate?
methyl (2R)-2-[[(3R)-3,7-dimethyloct-6-enoyl]amino]-2-phenylacetate has a molecular weight of 317.43 g/mol, XLogP of 3.79, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[[(3R)-3,7-dimethyloct-6-enoyl]amino]-2-phenylacetate is sourced from PubChem (CID 10781755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).