methyl 3-[ethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propanoate

C12H23NO4 — CID 62028503

IUPACmethyl 3-[ethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propanoate
SMILESCCN(CCC(=O)OC)CC(=O)OC(C)(C)C
InChIInChI=1S/C12H23NO4/c1-6-13(8-7-10(14)16-5)9-11(15)17-12(2,3)4/h6-9H2,1-5H3
InChIKeyDBTLSBPWCPMUSX-UHFFFAOYSA-N
MW245.32 g/mol
LogP1.21
Rot. Bonds6

About methyl 3-[ethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propanoate

methyl 3-[ethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propanoate (PubChem CID 62028503) has the molecular formula C12H23NO4 and a molecular weight of 245.32 g/mol. Its IUPAC name is methyl 3-[ethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[ethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propanoate
PubChem CID62028503
Molecular FormulaC12H23NO4
Molecular Weight245.32 g/mol
Exact Mass245.16
IUPAC Namemethyl 3-[ethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propanoate
SMILESCCN(CCC(=O)OC)CC(=O)OC(C)(C)C
InChIInChI=1S/C12H23NO4/c1-6-13(8-7-10(14)16-5)9-11(15)17-12(2,3)4/h6-9H2,1-5H3
InChIKeyDBTLSBPWCPMUSX-UHFFFAOYSA-N
XLogP1.21
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[ethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propanoate?
The IUPAC name of methyl 3-[ethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propanoate (CID 62028503) is methyl 3-[ethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propanoate.
What is the SMILES notation for methyl 3-[ethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propanoate?
The canonical SMILES for methyl 3-[ethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propanoate is CCN(CCC(=O)OC)CC(=O)OC(C)(C)C.
What is the InChIKey of methyl 3-[ethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propanoate?
The InChIKey is DBTLSBPWCPMUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4/c1-6-13(8-7-10(14)16-5)9-11(15)17-12(2,3)4/h6-9H2,1-5H3.
What are the key properties of methyl 3-[ethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propanoate?
methyl 3-[ethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propanoate has a molecular weight of 245.32 g/mol, XLogP of 1.21, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[ethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propanoate is sourced from PubChem (CID 62028503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).