methyl 3-methyl-2-[methyl-[4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoyl]amino]but-3-enoate

C19H34N2O5 — CID 123207910

IUPACmethyl 3-methyl-2-[methyl-[4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoyl]amino]but-3-enoate
SMILESC=C(C)C(C(=O)OC)N(C)C(=O)C(CC(C)C)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C19H34N2O5/c1-12(2)11-14(20(8)18(24)26-19(5,6)7)16(22)21(9)15(13(3)4)17(23)25-10/h12,14-15H,3,11H2,1-2,4-10H3
InChIKeyMHXFSFJKSALQMK-UHFFFAOYSA-N
MW370.49 g/mol
LogP2.84
Rot. Bonds7

About methyl 3-methyl-2-[methyl-[4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoyl]amino]but-3-enoate

methyl 3-methyl-2-[methyl-[4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoyl]amino]but-3-enoate (PubChem CID 123207910) has the molecular formula C19H34N2O5 and a molecular weight of 370.49 g/mol. Its IUPAC name is methyl 3-methyl-2-[methyl-[4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoyl]amino]but-3-enoate.

Molecular Properties

Compound Namemethyl 3-methyl-2-[methyl-[4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoyl]amino]but-3-enoate
PubChem CID123207910
Molecular FormulaC19H34N2O5
Molecular Weight370.49 g/mol
Exact Mass370.25
IUPAC Namemethyl 3-methyl-2-[methyl-[4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoyl]amino]but-3-enoate
SMILESC=C(C)C(C(=O)OC)N(C)C(=O)C(CC(C)C)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C19H34N2O5/c1-12(2)11-14(20(8)18(24)26-19(5,6)7)16(22)21(9)15(13(3)4)17(23)25-10/h12,14-15H,3,11H2,1-2,4-10H3
InChIKeyMHXFSFJKSALQMK-UHFFFAOYSA-N
XLogP2.84
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-2-[methyl-[4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoyl]amino]but-3-enoate?
The IUPAC name of methyl 3-methyl-2-[methyl-[4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoyl]amino]but-3-enoate (CID 123207910) is methyl 3-methyl-2-[methyl-[4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoyl]amino]but-3-enoate.
What is the SMILES notation for methyl 3-methyl-2-[methyl-[4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoyl]amino]but-3-enoate?
The canonical SMILES for methyl 3-methyl-2-[methyl-[4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoyl]amino]but-3-enoate is C=C(C)C(C(=O)OC)N(C)C(=O)C(CC(C)C)N(C)C(=O)OC(C)(C)C.
What is the InChIKey of methyl 3-methyl-2-[methyl-[4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoyl]amino]but-3-enoate?
The InChIKey is MHXFSFJKSALQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O5/c1-12(2)11-14(20(8)18(24)26-19(5,6)7)16(22)21(9)15(13(3)4)17(23)25-10/h12,14-15H,3,11H2,1-2,4-10H3.
What are the key properties of methyl 3-methyl-2-[methyl-[4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoyl]amino]but-3-enoate?
methyl 3-methyl-2-[methyl-[4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoyl]amino]but-3-enoate has a molecular weight of 370.49 g/mol, XLogP of 2.84, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-2-[methyl-[4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoyl]amino]but-3-enoate is sourced from PubChem (CID 123207910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).