ethyl 2-amino-5-(3,3-dimethylbutoxy)-2-methylpentanoate

C14H29NO3 — CID 66225205

IUPACethyl 2-amino-5-(3,3-dimethylbutoxy)-2-methylpentanoate
SMILESCCOC(=O)C(C)(N)CCCOCCC(C)(C)C
InChIInChI=1S/C14H29NO3/c1-6-18-12(16)14(5,15)8-7-10-17-11-9-13(2,3)4/h6-11,15H2,1-5H3
InChIKeyREVRARLRECRJAS-UHFFFAOYSA-N
MW259.39 g/mol
LogP2.50
Rot. Bonds8

About ethyl 2-amino-5-(3,3-dimethylbutoxy)-2-methylpentanoate

ethyl 2-amino-5-(3,3-dimethylbutoxy)-2-methylpentanoate (PubChem CID 66225205) has the molecular formula C14H29NO3 and a molecular weight of 259.39 g/mol. Its IUPAC name is ethyl 2-amino-5-(3,3-dimethylbutoxy)-2-methylpentanoate.

Molecular Properties

Compound Nameethyl 2-amino-5-(3,3-dimethylbutoxy)-2-methylpentanoate
PubChem CID66225205
Molecular FormulaC14H29NO3
Molecular Weight259.39 g/mol
Exact Mass259.21
IUPAC Nameethyl 2-amino-5-(3,3-dimethylbutoxy)-2-methylpentanoate
SMILESCCOC(=O)C(C)(N)CCCOCCC(C)(C)C
InChIInChI=1S/C14H29NO3/c1-6-18-12(16)14(5,15)8-7-10-17-11-9-13(2,3)4/h6-11,15H2,1-5H3
InChIKeyREVRARLRECRJAS-UHFFFAOYSA-N
XLogP2.50
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 52.50
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

ethyl 2-amino-5-(2-ethylbutoxy)-2-methylpentanoate
CID 114208531
ethyl (2R)-2-amino-2-methyltridecanoate
CID 125497893
ethyl (2S)-2-amino-2-methyloctanoate;hydrochloride
CID 11817243
methyl 2-amino-3-(3,3-dimethylbutoxy)-2-methylpropanoate
CID 66226341
ethyl 2-amino-5-(2,5-difluorophenoxy)-2-methylpentanoate
CID 63269809
methyl 2-amino-2-methyl-6-(2-propoxyethoxy)hexanoate
CID 63686600
ethyl 2-amino-2-methyl-5-(4-propylphenoxy)pentanoate
CID 62549258
ethyl 2-cyclopropyl-3-(3,3-dimethylbutoxy)-2-(ethylamino)propanoate
CID 66226799
diethyl 2-(2-butoxyethyl)-2-propylpropanedioate
CID 103972819
2-(3-methoxypropoxy)ethyl 2-amino-2-methylpentanoate
CID 103178593
ethyl (2S)-2-amino-2-methyl-3-sulfanylpropanoate
CID 45082477
ethyl 2-amino-2-methylbutanoate;hydrochloride
CID 175342051

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-5-(3,3-dimethylbutoxy)-2-methylpentanoate?
The IUPAC name of ethyl 2-amino-5-(3,3-dimethylbutoxy)-2-methylpentanoate (CID 66225205) is ethyl 2-amino-5-(3,3-dimethylbutoxy)-2-methylpentanoate.
What is the SMILES notation for ethyl 2-amino-5-(3,3-dimethylbutoxy)-2-methylpentanoate?
The canonical SMILES for ethyl 2-amino-5-(3,3-dimethylbutoxy)-2-methylpentanoate is CCOC(=O)C(C)(N)CCCOCCC(C)(C)C.
What is the InChIKey of ethyl 2-amino-5-(3,3-dimethylbutoxy)-2-methylpentanoate?
The InChIKey is REVRARLRECRJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO3/c1-6-18-12(16)14(5,15)8-7-10-17-11-9-13(2,3)4/h6-11,15H2,1-5H3.
What are the key properties of ethyl 2-amino-5-(3,3-dimethylbutoxy)-2-methylpentanoate?
ethyl 2-amino-5-(3,3-dimethylbutoxy)-2-methylpentanoate has a molecular weight of 259.39 g/mol, XLogP of 2.50, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-5-(3,3-dimethylbutoxy)-2-methylpentanoate is sourced from PubChem (CID 66225205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).