methyl 3-[methyl-[(2R)-oxolane-2-carbonyl]amino]propanoate

C10H17NO4 — CID 103852349

IUPACmethyl 3-[methyl-[(2R)-oxolane-2-carbonyl]amino]propanoate
SMILESCOC(=O)CCN(C)C(=O)[C@H]1CCCO1
InChIInChI=1S/C10H17NO4/c1-11(6-5-9(12)14-2)10(13)8-4-3-7-15-8/h8H,3-7H2,1-2H3/t8-/m1/s1
InChIKeyLWEXKPDPIQGHMK-MRVPVSSYSA-N
MW215.25 g/mol
LogP0.19
Rot. Bonds4

About methyl 3-[methyl-[(2R)-oxolane-2-carbonyl]amino]propanoate

methyl 3-[methyl-[(2R)-oxolane-2-carbonyl]amino]propanoate (PubChem CID 103852349) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is methyl 3-[methyl-[(2R)-oxolane-2-carbonyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[methyl-[(2R)-oxolane-2-carbonyl]amino]propanoate
PubChem CID103852349
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Namemethyl 3-[methyl-[(2R)-oxolane-2-carbonyl]amino]propanoate
SMILESCOC(=O)CCN(C)C(=O)[C@H]1CCCO1
InChIInChI=1S/C10H17NO4/c1-11(6-5-9(12)14-2)10(13)8-4-3-7-15-8/h8H,3-7H2,1-2H3/t8-/m1/s1
InChIKeyLWEXKPDPIQGHMK-MRVPVSSYSA-N
XLogP0.19
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[methyl(oxane-2-carbonyl)amino]butanoate
CID 55048143
3-[methyl-[(2S)-oxolane-2-carbonyl]amino]propanoic acid
CID 93398627
methyl 3-[ethyl(oxolane-2-carbonyl)amino]propanoate
CID 61009322
4-[methyl-[(2R)-oxolane-2-carbonyl]amino]butanoic acid
CID 104855520
methyl 2-[[(2S)-oxolane-2-carbonyl]-propylamino]acetate
CID 103872780
methyl 3-[methyl-[3-(oxolan-2-yl)propanoyl]amino]propanoate
CID 54979906
N-(2-hydroxyethyl)-N-methyloxane-2-carboxamide
CID 62212648
methyl 2-[(2-methoxy-2-oxoethyl)-(oxane-2-carbonyl)amino]acetate
CID 55151948
methyl 2-[oxane-2-carbonyl(propyl)amino]acetate
CID 62213195
N-(2-hydroxypropyl)-N-methyloxolane-2-carboxamide
CID 62335321
methyl 3-[methyl(oxan-2-ylmethyl)amino]propanoate
CID 61233938
N-(2-amino-3-methoxypropyl)-N-methyloxolane-2-carboxamide
CID 63753656

Frequently Asked Questions

What is the IUPAC name of methyl 3-[methyl-[(2R)-oxolane-2-carbonyl]amino]propanoate?
The IUPAC name of methyl 3-[methyl-[(2R)-oxolane-2-carbonyl]amino]propanoate (CID 103852349) is methyl 3-[methyl-[(2R)-oxolane-2-carbonyl]amino]propanoate.
What is the SMILES notation for methyl 3-[methyl-[(2R)-oxolane-2-carbonyl]amino]propanoate?
The canonical SMILES for methyl 3-[methyl-[(2R)-oxolane-2-carbonyl]amino]propanoate is COC(=O)CCN(C)C(=O)[C@H]1CCCO1.
What is the InChIKey of methyl 3-[methyl-[(2R)-oxolane-2-carbonyl]amino]propanoate?
The InChIKey is LWEXKPDPIQGHMK-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-11(6-5-9(12)14-2)10(13)8-4-3-7-15-8/h8H,3-7H2,1-2H3/t8-/m1/s1.
What are the key properties of methyl 3-[methyl-[(2R)-oxolane-2-carbonyl]amino]propanoate?
methyl 3-[methyl-[(2R)-oxolane-2-carbonyl]amino]propanoate has a molecular weight of 215.25 g/mol, XLogP of 0.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[methyl-[(2R)-oxolane-2-carbonyl]amino]propanoate is sourced from PubChem (CID 103852349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).