2-[(2-methylpropan-2-yl)oxy]ethyl 2-amino-2-methylpentanoate

C12H25NO3 — CID 112588251

IUPAC2-[(2-methylpropan-2-yl)oxy]ethyl 2-amino-2-methylpentanoate
SMILESCCCC(C)(N)C(=O)OCCOC(C)(C)C
InChIInChI=1S/C12H25NO3/c1-6-7-12(5,13)10(14)15-8-9-16-11(2,3)4/h6-9,13H2,1-5H3
InChIKeyHAXBOOSJGRCFDE-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.86
Rot. Bonds6

About 2-[(2-methylpropan-2-yl)oxy]ethyl 2-amino-2-methylpentanoate

2-[(2-methylpropan-2-yl)oxy]ethyl 2-amino-2-methylpentanoate (PubChem CID 112588251) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxy]ethyl 2-amino-2-methylpentanoate.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxy]ethyl 2-amino-2-methylpentanoate
PubChem CID112588251
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC Name2-[(2-methylpropan-2-yl)oxy]ethyl 2-amino-2-methylpentanoate
SMILESCCCC(C)(N)C(=O)OCCOC(C)(C)C
InChIInChI=1S/C12H25NO3/c1-6-7-12(5,13)10(14)15-8-9-16-11(2,3)4/h6-9,13H2,1-5H3
InChIKeyHAXBOOSJGRCFDE-UHFFFAOYSA-N
XLogP1.86
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-methylpropan-2-yl)oxy]ethyl 2-amino-2-methylbutanoate
CID 112588233
2-(3-methoxypropoxy)ethyl 2-amino-2-methylpentanoate
CID 103178593
propyl (2S)-2-amino-2-methylbutanoate
CID 92977098
ethyl 2-amino-2-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentanoate
CID 112589158
methane;2-[(2-methylpropan-2-yl)oxy]ethyl pentanoate
CID 174484867
1-ethoxypropan-2-yl 2-amino-2-methylpentanoate
CID 103489152
benzyl 2-amino-2-methylpentanoate
CID 61276990
2-ethoxycarbonyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]pentanoic acid
CID 113360424
butyl 2-amino-3-hydroxy-2-methylpropanoate
CID 91407475
2-amino-N-(2-methoxyethyl)-2-methylpentanamide
CID 60848561
2-amino-2-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propanamide
CID 112589177
iodomethyl 2-amino-2-methylhexanoate
CID 155453624

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxy]ethyl 2-amino-2-methylpentanoate?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxy]ethyl 2-amino-2-methylpentanoate (CID 112588251) is 2-[(2-methylpropan-2-yl)oxy]ethyl 2-amino-2-methylpentanoate.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxy]ethyl 2-amino-2-methylpentanoate?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxy]ethyl 2-amino-2-methylpentanoate is CCCC(C)(N)C(=O)OCCOC(C)(C)C.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxy]ethyl 2-amino-2-methylpentanoate?
The InChIKey is HAXBOOSJGRCFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3/c1-6-7-12(5,13)10(14)15-8-9-16-11(2,3)4/h6-9,13H2,1-5H3.
What are the key properties of 2-[(2-methylpropan-2-yl)oxy]ethyl 2-amino-2-methylpentanoate?
2-[(2-methylpropan-2-yl)oxy]ethyl 2-amino-2-methylpentanoate has a molecular weight of 231.34 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxy]ethyl 2-amino-2-methylpentanoate is sourced from PubChem (CID 112588251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).