methyl 2-amino-3-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]propanoate

C15H24N2O3 — CID 170884417

IUPACmethyl 2-amino-3-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]propanoate
SMILESCOC(=O)C(N)Cc1cc(C)n(CC2CCCO2)c1C
InChIInChI=1S/C15H24N2O3/c1-10-7-12(8-14(16)15(18)19-3)11(2)17(10)9-13-5-4-6-20-13/h7,13-14H,4-6,8-9,16H2,1-3H3
InChIKeyQHEGSLQSZXYKFN-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.33
Rot. Bonds5

About methyl 2-amino-3-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]propanoate

methyl 2-amino-3-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]propanoate (PubChem CID 170884417) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is methyl 2-amino-3-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]propanoate.

Molecular Properties

Compound Namemethyl 2-amino-3-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]propanoate
PubChem CID170884417
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Namemethyl 2-amino-3-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]propanoate
SMILESCOC(=O)C(N)Cc1cc(C)n(CC2CCCO2)c1C
InChIInChI=1S/C15H24N2O3/c1-10-7-12(8-14(16)15(18)19-3)11(2)17(10)9-13-5-4-6-20-13/h7,13-14H,4-6,8-9,16H2,1-3H3
InChIKeyQHEGSLQSZXYKFN-UHFFFAOYSA-N
XLogP1.33
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]propanoate?
The IUPAC name of methyl 2-amino-3-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]propanoate (CID 170884417) is methyl 2-amino-3-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]propanoate.
What is the SMILES notation for methyl 2-amino-3-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]propanoate?
The canonical SMILES for methyl 2-amino-3-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]propanoate is COC(=O)C(N)Cc1cc(C)n(CC2CCCO2)c1C.
What is the InChIKey of methyl 2-amino-3-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]propanoate?
The InChIKey is QHEGSLQSZXYKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-10-7-12(8-14(16)15(18)19-3)11(2)17(10)9-13-5-4-6-20-13/h7,13-14H,4-6,8-9,16H2,1-3H3.
What are the key properties of methyl 2-amino-3-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]propanoate?
methyl 2-amino-3-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]propanoate has a molecular weight of 280.37 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]propanoate is sourced from PubChem (CID 170884417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).