methyl 2-[[(2S)-oxolane-2-carbonyl]-propylamino]acetate

C11H19NO4 — CID 103872780

IUPACmethyl 2-[[(2S)-oxolane-2-carbonyl]-propylamino]acetate
SMILESCCCN(CC(=O)OC)C(=O)[C@@H]1CCCO1
InChIInChI=1S/C11H19NO4/c1-3-6-12(8-10(13)15-2)11(14)9-5-4-7-16-9/h9H,3-8H2,1-2H3/t9-/m0/s1
InChIKeyQOEXWPXFPDYAKI-VIFPVBQESA-N
MW229.28 g/mol
LogP0.58
Rot. Bonds5

About methyl 2-[[(2S)-oxolane-2-carbonyl]-propylamino]acetate

methyl 2-[[(2S)-oxolane-2-carbonyl]-propylamino]acetate (PubChem CID 103872780) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is methyl 2-[[(2S)-oxolane-2-carbonyl]-propylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[[(2S)-oxolane-2-carbonyl]-propylamino]acetate
PubChem CID103872780
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Namemethyl 2-[[(2S)-oxolane-2-carbonyl]-propylamino]acetate
SMILESCCCN(CC(=O)OC)C(=O)[C@@H]1CCCO1
InChIInChI=1S/C11H19NO4/c1-3-6-12(8-10(13)15-2)11(14)9-5-4-7-16-9/h9H,3-8H2,1-2H3/t9-/m0/s1
InChIKeyQOEXWPXFPDYAKI-VIFPVBQESA-N
XLogP0.58
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[oxane-2-carbonyl(propyl)amino]acetate
CID 62213195
methyl 2-[(2-methoxy-2-oxoethyl)-(oxane-2-carbonyl)amino]acetate
CID 55151948
methyl 3-[ethyl(oxolane-2-carbonyl)amino]propanoate
CID 61009322
N,N-dibutyloxolane-2-carboxamide
CID 3414196
methyl 2-[(5-methyloxolane-2-carbonyl)-propylamino]acetate
CID 80970947
methyl 3-[methyl-[(2R)-oxolane-2-carbonyl]amino]propanoate
CID 103852349
methyl 2-[oxolane-3-carbonyl(propyl)amino]acetate
CID 55208335
methyl 2-[bicyclo[3.1.0]hexane-6-carbonyl(propyl)amino]acetate
CID 79776867
methyl 2-[1,4-dioxane-2-carbonyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 62952638
2-[carboxymethyl-[(2R)-oxolane-2-carbonyl]amino]acetic acid
CID 104855690
methyl 2-[oxane-2-carbonyl(propan-2-yl)amino]acetate
CID 55048142
methyl 2-[propyl-[(2S)-pyrrolidine-2-carbonyl]amino]acetate
CID 61165277

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(2S)-oxolane-2-carbonyl]-propylamino]acetate?
The IUPAC name of methyl 2-[[(2S)-oxolane-2-carbonyl]-propylamino]acetate (CID 103872780) is methyl 2-[[(2S)-oxolane-2-carbonyl]-propylamino]acetate.
What is the SMILES notation for methyl 2-[[(2S)-oxolane-2-carbonyl]-propylamino]acetate?
The canonical SMILES for methyl 2-[[(2S)-oxolane-2-carbonyl]-propylamino]acetate is CCCN(CC(=O)OC)C(=O)[C@@H]1CCCO1.
What is the InChIKey of methyl 2-[[(2S)-oxolane-2-carbonyl]-propylamino]acetate?
The InChIKey is QOEXWPXFPDYAKI-VIFPVBQESA-N. The full InChI is InChI=1S/C11H19NO4/c1-3-6-12(8-10(13)15-2)11(14)9-5-4-7-16-9/h9H,3-8H2,1-2H3/t9-/m0/s1.
What are the key properties of methyl 2-[[(2S)-oxolane-2-carbonyl]-propylamino]acetate?
methyl 2-[[(2S)-oxolane-2-carbonyl]-propylamino]acetate has a molecular weight of 229.28 g/mol, XLogP of 0.58, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(2S)-oxolane-2-carbonyl]-propylamino]acetate is sourced from PubChem (CID 103872780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).