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

C12H23NO4 — CID 112603597

IUPACethyl 3-[methyl-[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]propanoate
SMILESCCOC(=O)CCN(C)C(=O)COC(C)(C)C
InChIInChI=1S/C12H23NO4/c1-6-16-11(15)7-8-13(5)10(14)9-17-12(2,3)4/h6-9H2,1-5H3
InChIKeyPSIQVBSJCNEQFR-UHFFFAOYSA-N
MW245.32 g/mol
LogP1.21
Rot. Bonds6

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

ethyl 3-[methyl-[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]propanoate (PubChem CID 112603597) has the molecular formula C12H23NO4 and a molecular weight of 245.32 g/mol. Its IUPAC name is ethyl 3-[methyl-[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[methyl-[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]propanoate
PubChem CID112603597
Molecular FormulaC12H23NO4
Molecular Weight245.32 g/mol
Exact Mass245.16
IUPAC Nameethyl 3-[methyl-[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]propanoate
SMILESCCOC(=O)CCN(C)C(=O)COC(C)(C)C
InChIInChI=1S/C12H23NO4/c1-6-16-11(15)7-8-13(5)10(14)9-17-12(2,3)4/h6-9H2,1-5H3
InChIKeyPSIQVBSJCNEQFR-UHFFFAOYSA-N
XLogP1.21
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
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 ≤ 104

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Related Compounds

N-ethyl-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604773
ethyl 5-[(2-methylpropan-2-yl)oxy]-4-oxopentanoate
CID 103484901
N-(5-bromopentyl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 107205909
N,N-dimethyl-2-[methyl-[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]acetamide
CID 112604801
ethyl 3-[2-[bis(3-ethoxy-3-oxopropyl)amino]ethyl-(3-ethoxy-3-oxopropyl)amino]propanoate
CID 87322437
2-[[(3-ethoxy-3-oxopropyl)-methylcarbamoyl]amino]-2-ethylbutanoic acid
CID 79804656
ethyl 3-[acetyl(dimethylamino)amino]propanoate
CID 3024684
ethyl 3-[3-hydroxypropyl(methyl)amino]propanoate
CID 62012804
N-[(4-aminophenyl)methyl]-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112601790
methyl 3-[(3-ethoxy-3-oxopropyl)-methylamino]-2,2-dimethylpropanoate
CID 79621448
ethyl 3-[2-hydroxypropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 91296592
ethyl 2-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoylamino]acetate
CID 19753809

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[methyl-[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]propanoate?
The IUPAC name of ethyl 3-[methyl-[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]propanoate (CID 112603597) is ethyl 3-[methyl-[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]propanoate.
What is the SMILES notation for ethyl 3-[methyl-[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]propanoate?
The canonical SMILES for ethyl 3-[methyl-[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]propanoate is CCOC(=O)CCN(C)C(=O)COC(C)(C)C.
What is the InChIKey of ethyl 3-[methyl-[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]propanoate?
The InChIKey is PSIQVBSJCNEQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4/c1-6-16-11(15)7-8-13(5)10(14)9-17-12(2,3)4/h6-9H2,1-5H3.
What are the key properties of ethyl 3-[methyl-[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]propanoate?
ethyl 3-[methyl-[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]propanoate has a molecular weight of 245.32 g/mol, XLogP of 1.21, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[methyl-[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]propanoate is sourced from PubChem (CID 112603597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).