benzyl 2-amino-2-methylpentanoate

C13H19NO2 — CID 61276990

IUPACbenzyl 2-amino-2-methylpentanoate
SMILESCCCC(C)(N)C(=O)OCc1ccccc1
InChIInChI=1S/C13H19NO2/c1-3-9-13(2,14)12(15)16-10-11-7-5-4-6-8-11/h4-8H,3,9-10,14H2,1-2H3
InChIKeyLISAEUPGGJEICV-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.25
Rot. Bonds5

About benzyl 2-amino-2-methylpentanoate

benzyl 2-amino-2-methylpentanoate (PubChem CID 61276990) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is benzyl 2-amino-2-methylpentanoate.

Molecular Properties

Compound Namebenzyl 2-amino-2-methylpentanoate
PubChem CID61276990
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Namebenzyl 2-amino-2-methylpentanoate
SMILESCCCC(C)(N)C(=O)OCc1ccccc1
InChIInChI=1S/C13H19NO2/c1-3-9-13(2,14)12(15)16-10-11-7-5-4-6-8-11/h4-8H,3,9-10,14H2,1-2H3
InChIKeyLISAEUPGGJEICV-UHFFFAOYSA-N
XLogP2.25
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 ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl (2S)-2-amino-2-methylbutanoate
CID 15660566
1-O-benzyl 4-O-ethyl (2S)-2-amino-2-methylbutanedioate
CID 101047093
benzyl 2-amino-2-hydroxypropanoate
CID 67630480
3-O-benzyl 1-O-ethyl 2,2-dipropylpropanedioate
CID 175178749
benzyl 4-amino-2,2,4-trimethyl-3-oxohexanoate
CID 170127579
benzyl (2S)-2-amino-2-methylnon-4-ynoate
CID 155930586
benzyl (2R)-2-amino-2-methyl-3-naphthalen-2-ylpropanoate
CID 164676045
benzyl 2-amino-2-phenylpropanoate
CID 54322564
benzyl 2-butan-2-yl-3,3-dimethylhexanoate
CID 144924267
dibenzyl 2-hexyl-2-nonylpropanedioate
CID 70122186
2-methyl-2-phenylmethoxycarbonylundecanoic acid
CID 150503047
benzyl 3-hydrazinyl-2,2-dimethyl-3-oxopropanoate
CID 134573796

Frequently Asked Questions

What is the IUPAC name of benzyl 2-amino-2-methylpentanoate?
The IUPAC name of benzyl 2-amino-2-methylpentanoate (CID 61276990) is benzyl 2-amino-2-methylpentanoate.
What is the SMILES notation for benzyl 2-amino-2-methylpentanoate?
The canonical SMILES for benzyl 2-amino-2-methylpentanoate is CCCC(C)(N)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-amino-2-methylpentanoate?
The InChIKey is LISAEUPGGJEICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-3-9-13(2,14)12(15)16-10-11-7-5-4-6-8-11/h4-8H,3,9-10,14H2,1-2H3.
What are the key properties of benzyl 2-amino-2-methylpentanoate?
benzyl 2-amino-2-methylpentanoate has a molecular weight of 221.30 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-amino-2-methylpentanoate is sourced from PubChem (CID 61276990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).