pentyl 4-amino-4-methylpentanoate

C11H23NO2 — CID 62048190

IUPACpentyl 4-amino-4-methylpentanoate
SMILESCCCCCOC(=O)CCC(C)(C)N
InChIInChI=1S/C11H23NO2/c1-4-5-6-9-14-10(13)7-8-11(2,3)12/h4-9,12H2,1-3H3
InChIKeyQNZQJUOVFOOBGT-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.24
Rot. Bonds7

About pentyl 4-amino-4-methylpentanoate

pentyl 4-amino-4-methylpentanoate (PubChem CID 62048190) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is pentyl 4-amino-4-methylpentanoate.

Molecular Properties

Compound Namepentyl 4-amino-4-methylpentanoate
PubChem CID62048190
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Namepentyl 4-amino-4-methylpentanoate
SMILESCCCCCOC(=O)CCC(C)(C)N
InChIInChI=1S/C11H23NO2/c1-4-5-6-9-14-10(13)7-8-11(2,3)12/h4-9,12H2,1-3H3
InChIKeyQNZQJUOVFOOBGT-UHFFFAOYSA-N
XLogP2.24
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

octadecyl 4,4-dimethylpentanoate
CID 174604601
pentyl 3-amino-3-methylbutanoate
CID 64701395
pentyl 6-amino-4,4-dimethylhexanoate
CID 65285428
pentyl butanoate
CID 10890
dihexadecyl butanedioate
CID 3572854
1-O-octyl 4-O-undecyl butanedioate
CID 91702141
1-O-dodecyl 4-O-octadecyl butanedioate
CID 151076861
pentyl hexanoate
CID 10886
decyl 6,6-dimethylheptanoate
CID 141285002
5-O-hexadecyl 1-O-octyl pentanedioate
CID 91709211
octadecyl octanoate;octyl octanoate
CID 161346280
decyl decanoate
CID 158095494

Frequently Asked Questions

What is the IUPAC name of pentyl 4-amino-4-methylpentanoate?
The IUPAC name of pentyl 4-amino-4-methylpentanoate (CID 62048190) is pentyl 4-amino-4-methylpentanoate.
What is the SMILES notation for pentyl 4-amino-4-methylpentanoate?
The canonical SMILES for pentyl 4-amino-4-methylpentanoate is CCCCCOC(=O)CCC(C)(C)N.
What is the InChIKey of pentyl 4-amino-4-methylpentanoate?
The InChIKey is QNZQJUOVFOOBGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-4-5-6-9-14-10(13)7-8-11(2,3)12/h4-9,12H2,1-3H3.
What are the key properties of pentyl 4-amino-4-methylpentanoate?
pentyl 4-amino-4-methylpentanoate has a molecular weight of 201.31 g/mol, XLogP of 2.24, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pentyl 4-amino-4-methylpentanoate is sourced from PubChem (CID 62048190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).