methyl 2-methyl-2-[[(2R)-2-methyl-2-[[2-methyl-2-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoyl]amino]pent-4-enoyl]amino]propanoate

C24H42N4O7 — CID 101061932

IUPACmethyl 2-methyl-2-[[(2R)-2-methyl-2-[[2-methyl-2-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoyl]amino]pent-4-enoyl]amino]propanoate
SMILESC=CC[C@@](C)(NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)OC(C)(C)C)C(=O)NC(C)(C)C(=O)OC
InChIInChI=1S/C24H42N4O7/c1-13-14-24(11,17(31)26-23(9,10)18(32)34-12)27-16(30)21(5,6)25-15(29)22(7,8)28-19(33)35-20(2,3)4/h13H,1,14H2,2-12H3,(H,25,29)(H,26,31)(H,27,30)(H,28,33)/t24-/m1/s1
InChIKeyWVUZENYJEFLCHH-XMMPIXPASA-N
MW498.62 g/mol
LogP1.70
Rot. Bonds10

About methyl 2-methyl-2-[[(2R)-2-methyl-2-[[2-methyl-2-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoyl]amino]pent-4-enoyl]amino]propanoate

methyl 2-methyl-2-[[(2R)-2-methyl-2-[[2-methyl-2-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoyl]amino]pent-4-enoyl]amino]propanoate (PubChem CID 101061932) has the molecular formula C24H42N4O7 and a molecular weight of 498.62 g/mol. Its IUPAC name is methyl 2-methyl-2-[[(2R)-2-methyl-2-[[2-methyl-2-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoyl]amino]pent-4-enoyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-[[(2R)-2-methyl-2-[[2-methyl-2-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoyl]amino]pent-4-enoyl]amino]propanoate
PubChem CID101061932
Molecular FormulaC24H42N4O7
Molecular Weight498.62 g/mol
Exact Mass498.31
IUPAC Namemethyl 2-methyl-2-[[(2R)-2-methyl-2-[[2-methyl-2-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoyl]amino]pent-4-enoyl]amino]propanoate
SMILESC=CC[C@@](C)(NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)OC(C)(C)C)C(=O)NC(C)(C)C(=O)OC
InChIInChI=1S/C24H42N4O7/c1-13-14-24(11,17(31)26-23(9,10)18(32)34-12)27-16(30)21(5,6)25-15(29)22(7,8)28-19(33)35-20(2,3)4/h13H,1,14H2,2-12H3,(H,25,29)(H,26,31)(H,27,30)(H,28,33)/t24-/m1/s1
InChIKeyWVUZENYJEFLCHH-XMMPIXPASA-N
XLogP1.70
TPSA151.93 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.62
LogP ≤ 51.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze methyl 2-methyl-2-[[(2R)-2-methyl-2-[[2-methyl-2-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoyl]amino]pent-4-enoyl]amino]propanoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-[[(2R)-2-methyl-2-[[2-methyl-2-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoyl]amino]pent-4-enoyl]amino]propanoate?
The IUPAC name of methyl 2-methyl-2-[[(2R)-2-methyl-2-[[2-methyl-2-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoyl]amino]pent-4-enoyl]amino]propanoate (CID 101061932) is methyl 2-methyl-2-[[(2R)-2-methyl-2-[[2-methyl-2-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoyl]amino]pent-4-enoyl]amino]propanoate.
What is the SMILES notation for methyl 2-methyl-2-[[(2R)-2-methyl-2-[[2-methyl-2-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoyl]amino]pent-4-enoyl]amino]propanoate?
The canonical SMILES for methyl 2-methyl-2-[[(2R)-2-methyl-2-[[2-methyl-2-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoyl]amino]pent-4-enoyl]amino]propanoate is C=CC[C@@](C)(NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)OC(C)(C)C)C(=O)NC(C)(C)C(=O)OC.
What is the InChIKey of methyl 2-methyl-2-[[(2R)-2-methyl-2-[[2-methyl-2-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoyl]amino]pent-4-enoyl]amino]propanoate?
The InChIKey is WVUZENYJEFLCHH-XMMPIXPASA-N. The full InChI is InChI=1S/C24H42N4O7/c1-13-14-24(11,17(31)26-23(9,10)18(32)34-12)27-16(30)21(5,6)25-15(29)22(7,8)28-19(33)35-20(2,3)4/h13H,1,14H2,2-12H3,(H,25,29)(H,26,31)(H,27,30)(H,28,33)/t24-/m1/s1.
What are the key properties of methyl 2-methyl-2-[[(2R)-2-methyl-2-[[2-methyl-2-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoyl]amino]pent-4-enoyl]amino]propanoate?
methyl 2-methyl-2-[[(2R)-2-methyl-2-[[2-methyl-2-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoyl]amino]pent-4-enoyl]amino]propanoate has a molecular weight of 498.62 g/mol, XLogP of 1.70, 10 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-[[(2R)-2-methyl-2-[[2-methyl-2-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoyl]amino]pent-4-enoyl]amino]propanoate is sourced from PubChem (CID 101061932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).