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

C12H23NO3 — CID 78960585

IUPACmethyl 3-[oxolan-2-ylmethyl(propan-2-yl)amino]propanoate
SMILESCOC(=O)CCN(CC1CCCO1)C(C)C
InChIInChI=1S/C12H23NO3/c1-10(2)13(7-6-12(14)15-3)9-11-5-4-8-16-11/h10-11H,4-9H2,1-3H3
InChIKeyXGERJUXKIKDYPJ-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.44
Rot. Bonds6

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

methyl 3-[oxolan-2-ylmethyl(propan-2-yl)amino]propanoate (PubChem CID 78960585) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is methyl 3-[oxolan-2-ylmethyl(propan-2-yl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[oxolan-2-ylmethyl(propan-2-yl)amino]propanoate
PubChem CID78960585
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Namemethyl 3-[oxolan-2-ylmethyl(propan-2-yl)amino]propanoate
SMILESCOC(=O)CCN(CC1CCCO1)C(C)C
InChIInChI=1S/C12H23NO3/c1-10(2)13(7-6-12(14)15-3)9-11-5-4-8-16-11/h10-11H,4-9H2,1-3H3
InChIKeyXGERJUXKIKDYPJ-UHFFFAOYSA-N
XLogP1.44
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[2-methylpropyl(oxolan-2-ylmethyl)amino]propanoate
CID 60606291
methyl 3-[1-cyanobutan-2-yl(oxolan-2-ylmethyl)amino]propanoate
CID 115536593
methyl 3-[methyl(oxan-2-ylmethyl)amino]propanoate
CID 61233938
methyl 3-[2-methylpentanoyl(oxolan-2-ylmethyl)amino]propanoate
CID 78964716
methyl 3-[tert-butylsulfonyl(oxolan-2-ylmethyl)amino]propanoate
CID 115536200
methyl 3-[3-methylbut-3-enyl(oxolan-2-ylmethyl)amino]propanoate
CID 114448994
N-(2-chloroethyl)-N-(oxolan-2-ylmethyl)propan-2-amine
CID 63388013
methyl 3-[methoxycarbonylsulfamoyl(oxolan-2-ylmethyl)amino]propanoate
CID 114465544
methyl 3-[cyclopropylsulfamoyl(oxolan-2-ylmethyl)amino]propanoate
CID 114383270
methyl 3-[3,3-dimethylbutanoyl(oxolan-2-ylmethyl)amino]propanoate
CID 78964270
methyl 3-[3,3-dimethylbutyl(oxolan-2-ylmethyl)amino]propanoate
CID 78964574
methyl 3-[3-(dimethylamino)propyl-(oxolan-2-ylmethyl)amino]propanoate
CID 113237140

Frequently Asked Questions

What is the IUPAC name of methyl 3-[oxolan-2-ylmethyl(propan-2-yl)amino]propanoate?
The IUPAC name of methyl 3-[oxolan-2-ylmethyl(propan-2-yl)amino]propanoate (CID 78960585) is methyl 3-[oxolan-2-ylmethyl(propan-2-yl)amino]propanoate.
What is the SMILES notation for methyl 3-[oxolan-2-ylmethyl(propan-2-yl)amino]propanoate?
The canonical SMILES for methyl 3-[oxolan-2-ylmethyl(propan-2-yl)amino]propanoate is COC(=O)CCN(CC1CCCO1)C(C)C.
What is the InChIKey of methyl 3-[oxolan-2-ylmethyl(propan-2-yl)amino]propanoate?
The InChIKey is XGERJUXKIKDYPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-10(2)13(7-6-12(14)15-3)9-11-5-4-8-16-11/h10-11H,4-9H2,1-3H3.
What are the key properties of methyl 3-[oxolan-2-ylmethyl(propan-2-yl)amino]propanoate?
methyl 3-[oxolan-2-ylmethyl(propan-2-yl)amino]propanoate has a molecular weight of 229.32 g/mol, XLogP of 1.44, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[oxolan-2-ylmethyl(propan-2-yl)amino]propanoate is sourced from PubChem (CID 78960585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).