amino 2-benzyl-4-methyl-5-phenylpentanoate

C19H23NO2 — CID 175118949

IUPACamino 2-benzyl-4-methyl-5-phenylpentanoate
SMILESCC(Cc1ccccc1)CC(Cc1ccccc1)C(=O)ON
InChIInChI=1S/C19H23NO2/c1-15(12-16-8-4-2-5-9-16)13-18(19(21)22-20)14-17-10-6-3-7-11-17/h2-11,15,18H,12-14,20H2,1H3
InChIKeyMVECOEDTJYTDTK-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.53
Rot. Bonds7

About amino 2-benzyl-4-methyl-5-phenylpentanoate

amino 2-benzyl-4-methyl-5-phenylpentanoate (PubChem CID 175118949) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is amino 2-benzyl-4-methyl-5-phenylpentanoate.

Molecular Properties

Compound Nameamino 2-benzyl-4-methyl-5-phenylpentanoate
PubChem CID175118949
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Nameamino 2-benzyl-4-methyl-5-phenylpentanoate
SMILESCC(Cc1ccccc1)CC(Cc1ccccc1)C(=O)ON
InChIInChI=1S/C19H23NO2/c1-15(12-16-8-4-2-5-9-16)13-18(19(21)22-20)14-17-10-6-3-7-11-17/h2-11,15,18H,12-14,20H2,1H3
InChIKeyMVECOEDTJYTDTK-UHFFFAOYSA-N
XLogP3.53
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

diethyl 2-(2-methyl-3-phenylpropyl)propanedioate
CID 174407288
2-ethoxycarbonyl-4-methyl-5-phenylpentanoic acid
CID 174946151
methyl 2-benzyl-4-methyl-5-oxohexanoate
CID 163944835
2-benzyl-4-methylheptanoic acid
CID 62266775
2-benzyl-4-methylpentanoic acid
CID 15416243
4-methyl-2,5-diphenylpentanoic acid
CID 82160563
amino 2-benzyl-3-oxobutanoate;hydrochloride
CID 174272636
(3S)-3-(aminomethyl)-5-methyl-6-phenylhexanoic acid
CID 70083704
3-aminooxy-4-phenylbutan-2-one
CID 177137013
(2S)-2-aminooxy-3-phenylpropanoic acid
CID 15582761
(2S,4R,6S)-2,4,6-trimethyl-7-phenylheptan-1-ol
CID 15830826
(2-methyl-3-phenylpropanoyl) 2-methyl-3-phenylpropanoate
CID 170643388

Frequently Asked Questions

What is the IUPAC name of amino 2-benzyl-4-methyl-5-phenylpentanoate?
The IUPAC name of amino 2-benzyl-4-methyl-5-phenylpentanoate (CID 175118949) is amino 2-benzyl-4-methyl-5-phenylpentanoate.
What is the SMILES notation for amino 2-benzyl-4-methyl-5-phenylpentanoate?
The canonical SMILES for amino 2-benzyl-4-methyl-5-phenylpentanoate is CC(Cc1ccccc1)CC(Cc1ccccc1)C(=O)ON.
What is the InChIKey of amino 2-benzyl-4-methyl-5-phenylpentanoate?
The InChIKey is MVECOEDTJYTDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-15(12-16-8-4-2-5-9-16)13-18(19(21)22-20)14-17-10-6-3-7-11-17/h2-11,15,18H,12-14,20H2,1H3.
What are the key properties of amino 2-benzyl-4-methyl-5-phenylpentanoate?
amino 2-benzyl-4-methyl-5-phenylpentanoate has a molecular weight of 297.40 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for amino 2-benzyl-4-methyl-5-phenylpentanoate is sourced from PubChem (CID 175118949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).