methyl (Z,4R)-4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-methoxypent-2-enoate

C17H29NO7 — CID 134833632

IUPACmethyl (Z,4R)-4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-methoxypent-2-enoate
SMILESCOC[C@@H](/C=C\C(=O)OC)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C17H29NO7/c1-16(2,3)24-14(20)18(15(21)25-17(4,5)6)12(11-22-7)9-10-13(19)23-8/h9-10,12H,11H2,1-8H3/b10-9-/t12-/m1/s1
InChIKeyWGOIBNIUCVVUJZ-ZWLSGLHFSA-N
MW359.42 g/mol
LogP2.90
Rot. Bonds5

About methyl (Z,4R)-4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-methoxypent-2-enoate

methyl (Z,4R)-4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-methoxypent-2-enoate (PubChem CID 134833632) has the molecular formula C17H29NO7 and a molecular weight of 359.42 g/mol. Its IUPAC name is methyl (Z,4R)-4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-methoxypent-2-enoate.

Molecular Properties

Compound Namemethyl (Z,4R)-4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-methoxypent-2-enoate
PubChem CID134833632
Molecular FormulaC17H29NO7
Molecular Weight359.42 g/mol
Exact Mass359.19
IUPAC Namemethyl (Z,4R)-4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-methoxypent-2-enoate
SMILESCOC[C@@H](/C=C\C(=O)OC)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C17H29NO7/c1-16(2,3)24-14(20)18(15(21)25-17(4,5)6)12(11-22-7)9-10-13(19)23-8/h9-10,12H,11H2,1-8H3/b10-9-/t12-/m1/s1
InChIKeyWGOIBNIUCVVUJZ-ZWLSGLHFSA-N
XLogP2.90
TPSA91.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.42
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze methyl (Z,4R)-4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-methoxypent-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl (Z,4R)-4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-methoxypent-2-enoate?
The IUPAC name of methyl (Z,4R)-4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-methoxypent-2-enoate (CID 134833632) is methyl (Z,4R)-4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-methoxypent-2-enoate.
What is the SMILES notation for methyl (Z,4R)-4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-methoxypent-2-enoate?
The canonical SMILES for methyl (Z,4R)-4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-methoxypent-2-enoate is COC[C@@H](/C=C\C(=O)OC)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C.
What is the InChIKey of methyl (Z,4R)-4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-methoxypent-2-enoate?
The InChIKey is WGOIBNIUCVVUJZ-ZWLSGLHFSA-N. The full InChI is InChI=1S/C17H29NO7/c1-16(2,3)24-14(20)18(15(21)25-17(4,5)6)12(11-22-7)9-10-13(19)23-8/h9-10,12H,11H2,1-8H3/b10-9-/t12-/m1/s1.
What are the key properties of methyl (Z,4R)-4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-methoxypent-2-enoate?
methyl (Z,4R)-4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-methoxypent-2-enoate has a molecular weight of 359.42 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z,4R)-4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-methoxypent-2-enoate is sourced from PubChem (CID 134833632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).