methyl 2-amino-2-benzylpentanoate

C13H19NO2 — CID 19793516

IUPACmethyl 2-amino-2-benzylpentanoate
SMILESCCCC(N)(Cc1ccccc1)C(=O)OC
InChIInChI=1S/C13H19NO2/c1-3-9-13(14,12(15)16-2)10-11-7-5-4-6-8-11/h4-8H,3,9-10,14H2,1-2H3
InChIKeyREKKPJRDUUDKAS-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.90
Rot. Bonds5

About methyl 2-amino-2-benzylpentanoate

methyl 2-amino-2-benzylpentanoate (PubChem CID 19793516) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is methyl 2-amino-2-benzylpentanoate.

Molecular Properties

Compound Namemethyl 2-amino-2-benzylpentanoate
PubChem CID19793516
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Namemethyl 2-amino-2-benzylpentanoate
SMILESCCCC(N)(Cc1ccccc1)C(=O)OC
InChIInChI=1S/C13H19NO2/c1-3-9-13(14,12(15)16-2)10-11-7-5-4-6-8-11/h4-8H,3,9-10,14H2,1-2H3
InChIKeyREKKPJRDUUDKAS-UHFFFAOYSA-N
XLogP1.90
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-2-benzylpentanoate?
The IUPAC name of methyl 2-amino-2-benzylpentanoate (CID 19793516) is methyl 2-amino-2-benzylpentanoate.
What is the SMILES notation for methyl 2-amino-2-benzylpentanoate?
The canonical SMILES for methyl 2-amino-2-benzylpentanoate is CCCC(N)(Cc1ccccc1)C(=O)OC.
What is the InChIKey of methyl 2-amino-2-benzylpentanoate?
The InChIKey is REKKPJRDUUDKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-3-9-13(14,12(15)16-2)10-11-7-5-4-6-8-11/h4-8H,3,9-10,14H2,1-2H3.
What are the key properties of methyl 2-amino-2-benzylpentanoate?
methyl 2-amino-2-benzylpentanoate has a molecular weight of 221.30 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-2-benzylpentanoate is sourced from PubChem (CID 19793516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).