butyl 5-amino-3,3-dimethyl-4-oxopentanoate;hydrochloride

C11H22ClNO3 — CID 22253134

IUPACbutyl 5-amino-3,3-dimethyl-4-oxopentanoate;hydrochloride
SMILESCCCCOC(=O)CC(C)(C)C(=O)CN.Cl
InChIInChI=1S/C11H21NO3.ClH/c1-4-5-6-15-10(14)7-11(2,3)9(13)8-12;/h4-8,12H2,1-3H3;1H
InChIKeyZTTDXCJOVCNNGX-UHFFFAOYSA-N
MW251.75 g/mol
LogP1.70
Rot. Bonds7

About butyl 5-amino-3,3-dimethyl-4-oxopentanoate;hydrochloride

butyl 5-amino-3,3-dimethyl-4-oxopentanoate;hydrochloride (PubChem CID 22253134) has the molecular formula C11H22ClNO3 and a molecular weight of 251.75 g/mol. Its IUPAC name is butyl 5-amino-3,3-dimethyl-4-oxopentanoate;hydrochloride.

Molecular Properties

Compound Namebutyl 5-amino-3,3-dimethyl-4-oxopentanoate;hydrochloride
PubChem CID22253134
Molecular FormulaC11H22ClNO3
Molecular Weight251.75 g/mol
Exact Mass251.13
IUPAC Namebutyl 5-amino-3,3-dimethyl-4-oxopentanoate;hydrochloride
SMILESCCCCOC(=O)CC(C)(C)C(=O)CN.Cl
InChIInChI=1S/C11H21NO3.ClH/c1-4-5-6-15-10(14)7-11(2,3)9(13)8-12;/h4-8,12H2,1-3H3;1H
InChIKeyZTTDXCJOVCNNGX-UHFFFAOYSA-N
XLogP1.70
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.75
LogP ≤ 51.70
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

butyl 3-hydroxy-3-methylbutanoate
CID 54482919
butyl 3,3-dihydroxybutanoate
CID 166790981
2-amino-4-butoxy-2-methyl-4-oxobutanoic acid
CID 54294843
butyl 3,3-dibutylheptanoate
CID 87595371
pentyl 3-amino-3-methylbutanoate
CID 64701395
butyl 3-carboxyoxy-3-methylbutanoate
CID 88926419
2,2-diamino-4-butoxy-4-oxobutanoic acid
CID 18364598
octyl 3,3,4-trimethylpentanoate
CID 174270900
tributyl 2-hydroxypropane-1,2,3-tricarboxylate;hydrate
CID 141282319
2-[(4-butoxy-2-methyl-4-oxobutan-2-yl)amino]acetic acid
CID 140557146
(1-butoxy-3-methyl-1-oxoheptan-3-yl)phosphonic acid
CID 87358970
2-O-butyl 1-O,3-O-diheptyl 2-hydroxypropane-1,2,3-tricarboxylate
CID 126563397

Frequently Asked Questions

What is the IUPAC name of butyl 5-amino-3,3-dimethyl-4-oxopentanoate;hydrochloride?
The IUPAC name of butyl 5-amino-3,3-dimethyl-4-oxopentanoate;hydrochloride (CID 22253134) is butyl 5-amino-3,3-dimethyl-4-oxopentanoate;hydrochloride.
What is the SMILES notation for butyl 5-amino-3,3-dimethyl-4-oxopentanoate;hydrochloride?
The canonical SMILES for butyl 5-amino-3,3-dimethyl-4-oxopentanoate;hydrochloride is CCCCOC(=O)CC(C)(C)C(=O)CN.Cl.
What is the InChIKey of butyl 5-amino-3,3-dimethyl-4-oxopentanoate;hydrochloride?
The InChIKey is ZTTDXCJOVCNNGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3.ClH/c1-4-5-6-15-10(14)7-11(2,3)9(13)8-12;/h4-8,12H2,1-3H3;1H.
What are the key properties of butyl 5-amino-3,3-dimethyl-4-oxopentanoate;hydrochloride?
butyl 5-amino-3,3-dimethyl-4-oxopentanoate;hydrochloride has a molecular weight of 251.75 g/mol, XLogP of 1.70, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 5-amino-3,3-dimethyl-4-oxopentanoate;hydrochloride is sourced from PubChem (CID 22253134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).