methyl 3-[2-methylpentanoyl(oxolan-2-ylmethyl)amino]propanoate

C15H27NO4 — CID 78964716

IUPACmethyl 3-[2-methylpentanoyl(oxolan-2-ylmethyl)amino]propanoate
SMILESCCCC(C)C(=O)N(CCC(=O)OC)CC1CCCO1
InChIInChI=1S/C15H27NO4/c1-4-6-12(2)15(18)16(9-8-14(17)19-3)11-13-7-5-10-20-13/h12-13H,4-11H2,1-3H3
InChIKeyKJPMRRJAHFQVHD-UHFFFAOYSA-N
MW285.38 g/mol
LogP1.99
Rot. Bonds8

About methyl 3-[2-methylpentanoyl(oxolan-2-ylmethyl)amino]propanoate

methyl 3-[2-methylpentanoyl(oxolan-2-ylmethyl)amino]propanoate (PubChem CID 78964716) has the molecular formula C15H27NO4 and a molecular weight of 285.38 g/mol. Its IUPAC name is methyl 3-[2-methylpentanoyl(oxolan-2-ylmethyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[2-methylpentanoyl(oxolan-2-ylmethyl)amino]propanoate
PubChem CID78964716
Molecular FormulaC15H27NO4
Molecular Weight285.38 g/mol
Exact Mass285.19
IUPAC Namemethyl 3-[2-methylpentanoyl(oxolan-2-ylmethyl)amino]propanoate
SMILESCCCC(C)C(=O)N(CCC(=O)OC)CC1CCCO1
InChIInChI=1S/C15H27NO4/c1-4-6-12(2)15(18)16(9-8-14(17)19-3)11-13-7-5-10-20-13/h12-13H,4-11H2,1-3H3
InChIKeyKJPMRRJAHFQVHD-UHFFFAOYSA-N
XLogP1.99
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[oxolan-2-ylmethyl(propan-2-yl)amino]propanoate
CID 78960585
methyl 3-[2-methylpropyl(oxolan-2-ylmethyl)amino]propanoate
CID 60606291
4-amino-2-methyl-N,N-bis(oxolan-2-ylmethyl)butanamide
CID 80543187
methyl 3-[3,3-dimethylbutanoyl(oxolan-2-ylmethyl)amino]propanoate
CID 78964270
methyl 3-[3-methylbut-3-enyl(oxolan-2-ylmethyl)amino]propanoate
CID 114448994
methyl 3-[methyl(oxan-2-ylmethyl)amino]propanoate
CID 61233938
methyl 3-[2-methoxyethyl(2-methylpentanoyl)amino]propanoate
CID 78959268
methyl 3-[3-acetamidopropanoyl(oxolan-2-ylmethyl)amino]propanoate
CID 78964014
methyl 4-[ethyl(oxolan-2-ylmethyl)amino]butanoate
CID 61434381
3-[butanoyl(oxolan-2-ylmethyl)amino]propanoic acid
CID 82323382
methyl 3-[2-methylidenebutyl(oxolan-2-ylmethyl)amino]propanoate
CID 113330840
methyl 3-[oxolan-2-ylmethyl(phenylmethoxycarbonyl)amino]propanoate
CID 78964120

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-methylpentanoyl(oxolan-2-ylmethyl)amino]propanoate?
The IUPAC name of methyl 3-[2-methylpentanoyl(oxolan-2-ylmethyl)amino]propanoate (CID 78964716) is methyl 3-[2-methylpentanoyl(oxolan-2-ylmethyl)amino]propanoate.
What is the SMILES notation for methyl 3-[2-methylpentanoyl(oxolan-2-ylmethyl)amino]propanoate?
The canonical SMILES for methyl 3-[2-methylpentanoyl(oxolan-2-ylmethyl)amino]propanoate is CCCC(C)C(=O)N(CCC(=O)OC)CC1CCCO1.
What is the InChIKey of methyl 3-[2-methylpentanoyl(oxolan-2-ylmethyl)amino]propanoate?
The InChIKey is KJPMRRJAHFQVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO4/c1-4-6-12(2)15(18)16(9-8-14(17)19-3)11-13-7-5-10-20-13/h12-13H,4-11H2,1-3H3.
What are the key properties of methyl 3-[2-methylpentanoyl(oxolan-2-ylmethyl)amino]propanoate?
methyl 3-[2-methylpentanoyl(oxolan-2-ylmethyl)amino]propanoate has a molecular weight of 285.38 g/mol, XLogP of 1.99, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-methylpentanoyl(oxolan-2-ylmethyl)amino]propanoate is sourced from PubChem (CID 78964716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).