ethyl 2-[(3-methoxy-3-methylbutyl)-propan-2-ylamino]acetate

C13H27NO3 — CID 102977138

IUPACethyl 2-[(3-methoxy-3-methylbutyl)-propan-2-ylamino]acetate
SMILESCCOC(=O)CN(CCC(C)(C)OC)C(C)C
InChIInChI=1S/C13H27NO3/c1-7-17-12(15)10-14(11(2)3)9-8-13(4,5)16-6/h11H,7-10H2,1-6H3
InChIKeyJBNQVJNYIZSYFV-UHFFFAOYSA-N
MW245.36 g/mol
LogP2.08
Rot. Bonds8

About ethyl 2-[(3-methoxy-3-methylbutyl)-propan-2-ylamino]acetate

ethyl 2-[(3-methoxy-3-methylbutyl)-propan-2-ylamino]acetate (PubChem CID 102977138) has the molecular formula C13H27NO3 and a molecular weight of 245.36 g/mol. Its IUPAC name is ethyl 2-[(3-methoxy-3-methylbutyl)-propan-2-ylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(3-methoxy-3-methylbutyl)-propan-2-ylamino]acetate
PubChem CID102977138
Molecular FormulaC13H27NO3
Molecular Weight245.36 g/mol
Exact Mass245.20
IUPAC Nameethyl 2-[(3-methoxy-3-methylbutyl)-propan-2-ylamino]acetate
SMILESCCOC(=O)CN(CCC(C)(C)OC)C(C)C
InChIInChI=1S/C13H27NO3/c1-7-17-12(15)10-14(11(2)3)9-8-13(4,5)16-6/h11H,7-10H2,1-6H3
InChIKeyJBNQVJNYIZSYFV-UHFFFAOYSA-N
XLogP2.08
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.36
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[2-[(2-methylpropan-2-yl)oxy]ethyl-propan-2-ylamino]acetate
CID 112687535
ethyl 2-[(5-cyano-5-methylhexyl)-propan-2-ylamino]acetate
CID 106713790
4-[(3-methoxy-3-methylbutyl)-propan-2-ylamino]butanoic acid
CID 103034658
methyl 3-[(2-ethoxy-2-oxoethyl)-propan-2-ylamino]-2-methylpropanoate
CID 62027008
ethyl 2-[(2-butoxy-2-oxoethyl)-propan-2-ylamino]acetate
CID 62026057
ethyl 2-[2-piperidin-1-ylethyl(propan-2-yl)amino]acetate
CID 62027944
ethyl 5-methoxy-2,5-dimethylhexanoate
CID 154290351
ethyl 2-[2-morpholin-4-ylethyl(propan-2-yl)amino]acetate
CID 62027191
ethyl 6-methoxy-2,6-dimethylheptanoate
CID 118230502
ethyl 2-[3-chloroprop-2-enyl(propan-2-yl)amino]acetate
CID 76931432
ethyl 2-[(3-chloro-2-methylprop-2-enyl)-propan-2-ylamino]acetate
CID 106439800
ethyl 2-[tert-butylsulfonyl(propan-2-yl)amino]acetate
CID 62490262

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3-methoxy-3-methylbutyl)-propan-2-ylamino]acetate?
The IUPAC name of ethyl 2-[(3-methoxy-3-methylbutyl)-propan-2-ylamino]acetate (CID 102977138) is ethyl 2-[(3-methoxy-3-methylbutyl)-propan-2-ylamino]acetate.
What is the SMILES notation for ethyl 2-[(3-methoxy-3-methylbutyl)-propan-2-ylamino]acetate?
The canonical SMILES for ethyl 2-[(3-methoxy-3-methylbutyl)-propan-2-ylamino]acetate is CCOC(=O)CN(CCC(C)(C)OC)C(C)C.
What is the InChIKey of ethyl 2-[(3-methoxy-3-methylbutyl)-propan-2-ylamino]acetate?
The InChIKey is JBNQVJNYIZSYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO3/c1-7-17-12(15)10-14(11(2)3)9-8-13(4,5)16-6/h11H,7-10H2,1-6H3.
What are the key properties of ethyl 2-[(3-methoxy-3-methylbutyl)-propan-2-ylamino]acetate?
ethyl 2-[(3-methoxy-3-methylbutyl)-propan-2-ylamino]acetate has a molecular weight of 245.36 g/mol, XLogP of 2.08, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3-methoxy-3-methylbutyl)-propan-2-ylamino]acetate is sourced from PubChem (CID 102977138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).