methyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoate

C11H19NO4 — CID 58169888

IUPACmethyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoate
SMILESC=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)OC
InChIInChI=1S/C11H19NO4/c1-6-7-8(9(13)15-5)12-10(14)16-11(2,3)4/h6,8H,1,7H2,2-5H3,(H,12,14)/t8-/m1/s1
InChIKeyAPXWRHACXBILLH-MRVPVSSYSA-N
MW229.28 g/mol
LogP1.63
Rot. Bonds4

About methyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoate

methyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoate (PubChem CID 58169888) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is methyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoate.

Molecular Properties

Compound Namemethyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoate
PubChem CID58169888
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Namemethyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoate
SMILESC=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)OC
InChIInChI=1S/C11H19NO4/c1-6-7-8(9(13)15-5)12-10(14)16-11(2,3)4/h6,8H,1,7H2,2-5H3,(H,12,14)/t8-/m1/s1
InChIKeyAPXWRHACXBILLH-MRVPVSSYSA-N
XLogP1.63
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoate?
The IUPAC name of methyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoate (CID 58169888) is methyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoate.
What is the SMILES notation for methyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoate?
The canonical SMILES for methyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoate is C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)OC.
What is the InChIKey of methyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoate?
The InChIKey is APXWRHACXBILLH-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-6-7-8(9(13)15-5)12-10(14)16-11(2,3)4/h6,8H,1,7H2,2-5H3,(H,12,14)/t8-/m1/s1.
What are the key properties of methyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoate?
methyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoate has a molecular weight of 229.28 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoate is sourced from PubChem (CID 58169888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).