methyl (2R)-3-[3-ethoxypropyl(pent-4-enoyl)amino]-2-methylpropanoate

C15H27NO4 — CID 97029597

IUPACmethyl (2R)-3-[3-ethoxypropyl(pent-4-enoyl)amino]-2-methylpropanoate
SMILESC=CCCC(=O)N(CCCOCC)C[C@@H](C)C(=O)OC
InChIInChI=1S/C15H27NO4/c1-5-7-9-14(17)16(10-8-11-20-6-2)12-13(3)15(18)19-4/h5,13H,1,6-12H2,2-4H3/t13-/m1/s1
InChIKeyJWMWONPCWXKMCZ-CYBMUJFWSA-N
MW285.38 g/mol
LogP2.02
Rot. Bonds11

About methyl (2R)-3-[3-ethoxypropyl(pent-4-enoyl)amino]-2-methylpropanoate

methyl (2R)-3-[3-ethoxypropyl(pent-4-enoyl)amino]-2-methylpropanoate (PubChem CID 97029597) has the molecular formula C15H27NO4 and a molecular weight of 285.38 g/mol. Its IUPAC name is methyl (2R)-3-[3-ethoxypropyl(pent-4-enoyl)amino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl (2R)-3-[3-ethoxypropyl(pent-4-enoyl)amino]-2-methylpropanoate
PubChem CID97029597
Molecular FormulaC15H27NO4
Molecular Weight285.38 g/mol
Exact Mass285.19
IUPAC Namemethyl (2R)-3-[3-ethoxypropyl(pent-4-enoyl)amino]-2-methylpropanoate
SMILESC=CCCC(=O)N(CCCOCC)C[C@@H](C)C(=O)OC
InChIInChI=1S/C15H27NO4/c1-5-7-9-14(17)16(10-8-11-20-6-2)12-13(3)15(18)19-4/h5,13H,1,6-12H2,2-4H3/t13-/m1/s1
InChIKeyJWMWONPCWXKMCZ-CYBMUJFWSA-N
XLogP2.02
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-3-[3-ethoxypropyl(pent-4-enoyl)amino]-2-methylpropanoate?
The IUPAC name of methyl (2R)-3-[3-ethoxypropyl(pent-4-enoyl)amino]-2-methylpropanoate (CID 97029597) is methyl (2R)-3-[3-ethoxypropyl(pent-4-enoyl)amino]-2-methylpropanoate.
What is the SMILES notation for methyl (2R)-3-[3-ethoxypropyl(pent-4-enoyl)amino]-2-methylpropanoate?
The canonical SMILES for methyl (2R)-3-[3-ethoxypropyl(pent-4-enoyl)amino]-2-methylpropanoate is C=CCCC(=O)N(CCCOCC)C[C@@H](C)C(=O)OC.
What is the InChIKey of methyl (2R)-3-[3-ethoxypropyl(pent-4-enoyl)amino]-2-methylpropanoate?
The InChIKey is JWMWONPCWXKMCZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H27NO4/c1-5-7-9-14(17)16(10-8-11-20-6-2)12-13(3)15(18)19-4/h5,13H,1,6-12H2,2-4H3/t13-/m1/s1.
What are the key properties of methyl (2R)-3-[3-ethoxypropyl(pent-4-enoyl)amino]-2-methylpropanoate?
methyl (2R)-3-[3-ethoxypropyl(pent-4-enoyl)amino]-2-methylpropanoate has a molecular weight of 285.38 g/mol, XLogP of 2.02, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-3-[3-ethoxypropyl(pent-4-enoyl)amino]-2-methylpropanoate is sourced from PubChem (CID 97029597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).