hex-5-en-2-yl (2S)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate

C19H33NO6 — CID 146589861

IUPAChex-5-en-2-yl (2S)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
SMILESC=CCCC(C)OC(=O)[C@H](C)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C19H33NO6/c1-10-11-12-13(2)24-15(21)14(3)20(16(22)25-18(4,5)6)17(23)26-19(7,8)9/h10,13-14H,1,11-12H2,2-9H3/t13?,14-/m0/s1
InChIKeyHLENSXHVQSEHKF-KZUDCZAMSA-N
MW371.47 g/mol
LogP4.45
Rot. Bonds6

About hex-5-en-2-yl (2S)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate

hex-5-en-2-yl (2S)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate (PubChem CID 146589861) has the molecular formula C19H33NO6 and a molecular weight of 371.47 g/mol. Its IUPAC name is hex-5-en-2-yl (2S)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate.

Molecular Properties

Compound Namehex-5-en-2-yl (2S)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
PubChem CID146589861
Molecular FormulaC19H33NO6
Molecular Weight371.47 g/mol
Exact Mass371.23
IUPAC Namehex-5-en-2-yl (2S)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
SMILESC=CCCC(C)OC(=O)[C@H](C)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C19H33NO6/c1-10-11-12-13(2)24-15(21)14(3)20(16(22)25-18(4,5)6)17(23)26-19(7,8)9/h10,13-14H,1,11-12H2,2-9H3/t13?,14-/m0/s1
InChIKeyHLENSXHVQSEHKF-KZUDCZAMSA-N
XLogP4.45
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.47
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of hex-5-en-2-yl (2S)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate?
The IUPAC name of hex-5-en-2-yl (2S)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate (CID 146589861) is hex-5-en-2-yl (2S)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate.
What is the SMILES notation for hex-5-en-2-yl (2S)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate?
The canonical SMILES for hex-5-en-2-yl (2S)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate is C=CCCC(C)OC(=O)[C@H](C)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C.
What is the InChIKey of hex-5-en-2-yl (2S)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate?
The InChIKey is HLENSXHVQSEHKF-KZUDCZAMSA-N. The full InChI is InChI=1S/C19H33NO6/c1-10-11-12-13(2)24-15(21)14(3)20(16(22)25-18(4,5)6)17(23)26-19(7,8)9/h10,13-14H,1,11-12H2,2-9H3/t13?,14-/m0/s1.
What are the key properties of hex-5-en-2-yl (2S)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate?
hex-5-en-2-yl (2S)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate has a molecular weight of 371.47 g/mol, XLogP of 4.45, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for hex-5-en-2-yl (2S)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate is sourced from PubChem (CID 146589861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).