ethyl (3R,5R)-3-ethyl-5-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]non-8-enoate

C19H35NO4 — CID 144620217

IUPACethyl (3R,5R)-3-ethyl-5-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]non-8-enoate
SMILESC=CCC[C@@H](C)C[C@@H](CC)C(NC(=O)OC(C)(C)C)C(=O)OCC
InChIInChI=1S/C19H35NO4/c1-8-11-12-14(4)13-15(9-2)16(17(21)23-10-3)20-18(22)24-19(5,6)7/h8,14-16H,1,9-13H2,2-7H3,(H,20,22)/t14-,15-,16?/m1/s1
InChIKeyZDICGKFHTVCHTN-YGFGXBMJSA-N
MW341.49 g/mol
LogP4.46
Rot. Bonds10

About ethyl (3R,5R)-3-ethyl-5-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]non-8-enoate

ethyl (3R,5R)-3-ethyl-5-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]non-8-enoate (PubChem CID 144620217) has the molecular formula C19H35NO4 and a molecular weight of 341.49 g/mol. Its IUPAC name is ethyl (3R,5R)-3-ethyl-5-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]non-8-enoate.

Molecular Properties

Compound Nameethyl (3R,5R)-3-ethyl-5-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]non-8-enoate
PubChem CID144620217
Molecular FormulaC19H35NO4
Molecular Weight341.49 g/mol
Exact Mass341.26
IUPAC Nameethyl (3R,5R)-3-ethyl-5-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]non-8-enoate
SMILESC=CCC[C@@H](C)C[C@@H](CC)C(NC(=O)OC(C)(C)C)C(=O)OCC
InChIInChI=1S/C19H35NO4/c1-8-11-12-14(4)13-15(9-2)16(17(21)23-10-3)20-18(22)24-19(5,6)7/h8,14-16H,1,9-13H2,2-7H3,(H,20,22)/t14-,15-,16?/m1/s1
InChIKeyZDICGKFHTVCHTN-YGFGXBMJSA-N
XLogP4.46
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.49
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl (3R,5R)-3-ethyl-5-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]non-8-enoate with MolForge

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Related Compounds

ethyl 3-ethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]non-8-enoate
CID 123149564
4-O-tert-butyl 1-O-ethyl 2-[(3R)-5-methylnon-8-en-3-yl]butanedioate
CID 147810304
tert-butyl N-[(3S,5S)-1-chloro-5-methyl-2-oxonon-8-en-3-yl]carbamate
CID 87490403
tert-butyl N-(1-chloro-5-methyl-2-oxonon-8-en-3-yl)carbamate
CID 87490399
tert-butyl N-[(2S)-1-(but-3-enylamino)-3-methyl-1-oxopentan-2-yl]carbamate
CID 121448498
ethyl (2R,3S)-3-hydroxy-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 129463292
ethyl (3S)-2,2-difluoro-3-[(2-methylpropan-2-yl)oxycarbonylamino]hept-6-enoate
CID 71742325
(3R)-3-ethyl-2-(ethylamino)-5-methylnon-8-enoic acid;hydrochloride
CID 122613877
ethyl (2R)-3-but-3-enylsulfanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 102416479
1-O-ethyl 5-O-methyl (2S,3R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanedioate
CID 122217658
tert-butyl N-[(3S,4S)-3-methyl-5-oxooct-7-en-4-yl]carbamate
CID 11807256
tert-butyl N-[(2S,3S)-1-[[(1E)-hepta-1,6-dienyl]amino]-3-methyl-1-oxopentan-2-yl]carbamate
CID 24806082

Frequently Asked Questions

What is the IUPAC name of ethyl (3R,5R)-3-ethyl-5-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]non-8-enoate?
The IUPAC name of ethyl (3R,5R)-3-ethyl-5-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]non-8-enoate (CID 144620217) is ethyl (3R,5R)-3-ethyl-5-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]non-8-enoate.
What is the SMILES notation for ethyl (3R,5R)-3-ethyl-5-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]non-8-enoate?
The canonical SMILES for ethyl (3R,5R)-3-ethyl-5-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]non-8-enoate is C=CCC[C@@H](C)C[C@@H](CC)C(NC(=O)OC(C)(C)C)C(=O)OCC.
What is the InChIKey of ethyl (3R,5R)-3-ethyl-5-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]non-8-enoate?
The InChIKey is ZDICGKFHTVCHTN-YGFGXBMJSA-N. The full InChI is InChI=1S/C19H35NO4/c1-8-11-12-14(4)13-15(9-2)16(17(21)23-10-3)20-18(22)24-19(5,6)7/h8,14-16H,1,9-13H2,2-7H3,(H,20,22)/t14-,15-,16?/m1/s1.
What are the key properties of ethyl (3R,5R)-3-ethyl-5-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]non-8-enoate?
ethyl (3R,5R)-3-ethyl-5-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]non-8-enoate has a molecular weight of 341.49 g/mol, XLogP of 4.46, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R,5R)-3-ethyl-5-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]non-8-enoate is sourced from PubChem (CID 144620217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).