ethyl 2-amino-2-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentanoate

C14H29NO4 — CID 112589158

IUPACethyl 2-amino-2-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentanoate
SMILESCCOC(=O)C(C)(N)CC(C)OCCOC(C)(C)C
InChIInChI=1S/C14H29NO4/c1-7-17-12(16)14(6,15)10-11(2)18-8-9-19-13(3,4)5/h11H,7-10,15H2,1-6H3
InChIKeyQJWPFDOYHKJSFH-UHFFFAOYSA-N
MW275.39 g/mol
LogP1.88
Rot. Bonds8

About ethyl 2-amino-2-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentanoate

ethyl 2-amino-2-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentanoate (PubChem CID 112589158) has the molecular formula C14H29NO4 and a molecular weight of 275.39 g/mol. Its IUPAC name is ethyl 2-amino-2-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentanoate.

Molecular Properties

Compound Nameethyl 2-amino-2-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentanoate
PubChem CID112589158
Molecular FormulaC14H29NO4
Molecular Weight275.39 g/mol
Exact Mass275.21
IUPAC Nameethyl 2-amino-2-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentanoate
SMILESCCOC(=O)C(C)(N)CC(C)OCCOC(C)(C)C
InChIInChI=1S/C14H29NO4/c1-7-17-12(16)14(6,15)10-11(2)18-8-9-19-13(3,4)5/h11H,7-10,15H2,1-6H3
InChIKeyQJWPFDOYHKJSFH-UHFFFAOYSA-N
XLogP1.88
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-amino-4-butoxy-2-methylpentanoate
CID 64708941
ethyl 2-amino-4-(2,2-difluoroethoxy)-2-methylpentanoate
CID 82006587
methyl 2-amino-2-methyl-4-(2-propoxyethoxy)pentanoate
CID 64720266
2,2-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentane
CID 162034273
2-[(2-methylpropan-2-yl)oxy]ethyl 2-amino-2-methylbutanoate
CID 112588233
2-(ethylamino)-2-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentanoic acid
CID 112589153
ethyl 2-amino-2-methyl-4-propan-2-ylsulfanylpentanoate
CID 64712073
2-[(2-methylpropan-2-yl)oxy]ethyl 2-amino-2-methylpentanoate
CID 112588251
ethyl 2-amino-4-(4-methoxyphenoxy)-2-methylpentanoate
CID 64706659
4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentanehydrazide
CID 112590279
ethyl 2-amino-2-methyl-4-propylsulfanylpentanoate
CID 64709276
ethyl 2-amino-2-methylbutanoate;hydrochloride
CID 175342051

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-2-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentanoate?
The IUPAC name of ethyl 2-amino-2-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentanoate (CID 112589158) is ethyl 2-amino-2-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentanoate.
What is the SMILES notation for ethyl 2-amino-2-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentanoate?
The canonical SMILES for ethyl 2-amino-2-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentanoate is CCOC(=O)C(C)(N)CC(C)OCCOC(C)(C)C.
What is the InChIKey of ethyl 2-amino-2-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentanoate?
The InChIKey is QJWPFDOYHKJSFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO4/c1-7-17-12(16)14(6,15)10-11(2)18-8-9-19-13(3,4)5/h11H,7-10,15H2,1-6H3.
What are the key properties of ethyl 2-amino-2-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentanoate?
ethyl 2-amino-2-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentanoate has a molecular weight of 275.39 g/mol, XLogP of 1.88, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-2-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentanoate is sourced from PubChem (CID 112589158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).