ethyl 2-amino-4-butoxy-2-methylpentanoate

C12H25NO3 — CID 64708941

IUPACethyl 2-amino-4-butoxy-2-methylpentanoate
SMILESCCCCOC(C)CC(C)(N)C(=O)OCC
InChIInChI=1S/C12H25NO3/c1-5-7-8-16-10(3)9-12(4,13)11(14)15-6-2/h10H,5-9,13H2,1-4H3
InChIKeyCEIGLUNOWKSTSO-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.86
Rot. Bonds8

About ethyl 2-amino-4-butoxy-2-methylpentanoate

ethyl 2-amino-4-butoxy-2-methylpentanoate (PubChem CID 64708941) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is ethyl 2-amino-4-butoxy-2-methylpentanoate.

Molecular Properties

Compound Nameethyl 2-amino-4-butoxy-2-methylpentanoate
PubChem CID64708941
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC Nameethyl 2-amino-4-butoxy-2-methylpentanoate
SMILESCCCCOC(C)CC(C)(N)C(=O)OCC
InChIInChI=1S/C12H25NO3/c1-5-7-8-16-10(3)9-12(4,13)11(14)15-6-2/h10H,5-9,13H2,1-4H3
InChIKeyCEIGLUNOWKSTSO-UHFFFAOYSA-N
XLogP1.86
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
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

ethyl 2-amino-2-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentanoate
CID 112589158
ethyl 2-amino-4-(2,2-difluoroethoxy)-2-methylpentanoate
CID 82006587
ethyl 2-(ethylamino)-2-methyl-4-pentoxypentanoate
CID 64719572
ethyl 2-amino-2-methyl-4-propylsulfanylpentanoate
CID 64709276
methyl 2-amino-2-methyl-4-(2-propoxyethoxy)pentanoate
CID 64720266
ethyl 2-amino-4-(4-methoxyphenoxy)-2-methylpentanoate
CID 64706659
2-amino-2-methyl-4-(4-methylpentoxy)pentanoic acid
CID 64708384
ethyl (2R)-2-amino-2-methyltridecanoate
CID 125497893
3-butoxybutyl ethyl carbonate
CID 87247604
ethyl 2-amino-2-methyl-4-propan-2-ylsulfanylpentanoate
CID 64712073
ethyl (2S)-2-amino-2-methyloctanoate;hydrochloride
CID 11817243
ethyl 2-methyl-2-(methylamino)-4-(4,4,4-trifluorobutoxy)pentanoate
CID 82792603

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-4-butoxy-2-methylpentanoate?
The IUPAC name of ethyl 2-amino-4-butoxy-2-methylpentanoate (CID 64708941) is ethyl 2-amino-4-butoxy-2-methylpentanoate.
What is the SMILES notation for ethyl 2-amino-4-butoxy-2-methylpentanoate?
The canonical SMILES for ethyl 2-amino-4-butoxy-2-methylpentanoate is CCCCOC(C)CC(C)(N)C(=O)OCC.
What is the InChIKey of ethyl 2-amino-4-butoxy-2-methylpentanoate?
The InChIKey is CEIGLUNOWKSTSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3/c1-5-7-8-16-10(3)9-12(4,13)11(14)15-6-2/h10H,5-9,13H2,1-4H3.
What are the key properties of ethyl 2-amino-4-butoxy-2-methylpentanoate?
ethyl 2-amino-4-butoxy-2-methylpentanoate has a molecular weight of 231.34 g/mol, XLogP of 1.86, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-4-butoxy-2-methylpentanoate is sourced from PubChem (CID 64708941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).