ethyl 2,2-dimethyl-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate

C13H25NO4 — CID 118164616

IUPACethyl 2,2-dimethyl-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
SMILESCCOC(=O)C(C)(C)CN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C13H25NO4/c1-8-17-10(15)13(5,6)9-14(7)11(16)18-12(2,3)4/h8-9H2,1-7H3
InChIKeyLPTANLWOGSEKBE-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.44
Rot. Bonds4

About ethyl 2,2-dimethyl-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate

ethyl 2,2-dimethyl-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate (PubChem CID 118164616) has the molecular formula C13H25NO4 and a molecular weight of 259.35 g/mol. Its IUPAC name is ethyl 2,2-dimethyl-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate.

Molecular Properties

Compound Nameethyl 2,2-dimethyl-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
PubChem CID118164616
Molecular FormulaC13H25NO4
Molecular Weight259.35 g/mol
Exact Mass259.18
IUPAC Nameethyl 2,2-dimethyl-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
SMILESCCOC(=O)C(C)(C)CN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C13H25NO4/c1-8-17-10(15)13(5,6)9-14(7)11(16)18-12(2,3)4/h8-9H2,1-7H3
InChIKeyLPTANLWOGSEKBE-UHFFFAOYSA-N
XLogP2.44
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2,2-dimethyl-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate?
The IUPAC name of ethyl 2,2-dimethyl-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate (CID 118164616) is ethyl 2,2-dimethyl-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate.
What is the SMILES notation for ethyl 2,2-dimethyl-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate?
The canonical SMILES for ethyl 2,2-dimethyl-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate is CCOC(=O)C(C)(C)CN(C)C(=O)OC(C)(C)C.
What is the InChIKey of ethyl 2,2-dimethyl-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate?
The InChIKey is LPTANLWOGSEKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO4/c1-8-17-10(15)13(5,6)9-14(7)11(16)18-12(2,3)4/h8-9H2,1-7H3.
What are the key properties of ethyl 2,2-dimethyl-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate?
ethyl 2,2-dimethyl-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate has a molecular weight of 259.35 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,2-dimethyl-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate is sourced from PubChem (CID 118164616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).