(2R)-2-amino-5-benzoyloxypentanoic acid

C12H15NO4 — CID 96559711

IUPAC(2R)-2-amino-5-benzoyloxypentanoic acid
SMILESN[C@H](CCCOC(=O)c1ccccc1)C(=O)O
InChIInChI=1S/C12H15NO4/c13-10(11(14)15)7-4-8-17-12(16)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8,13H2,(H,14,15)/t10-/m1/s1
InChIKeyRIFIOUOJHPAPAK-SNVBAGLBSA-N
MW237.26 g/mol
LogP1.04
Rot. Bonds6

About (2R)-2-amino-5-benzoyloxypentanoic acid

(2R)-2-amino-5-benzoyloxypentanoic acid (PubChem CID 96559711) has the molecular formula C12H15NO4 and a molecular weight of 237.26 g/mol. Its IUPAC name is (2R)-2-amino-5-benzoyloxypentanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-5-benzoyloxypentanoic acid
PubChem CID96559711
Molecular FormulaC12H15NO4
Molecular Weight237.26 g/mol
Exact Mass237.10
IUPAC Name(2R)-2-amino-5-benzoyloxypentanoic acid
SMILESN[C@H](CCCOC(=O)c1ccccc1)C(=O)O
InChIInChI=1S/C12H15NO4/c13-10(11(14)15)7-4-8-17-12(16)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8,13H2,(H,14,15)/t10-/m1/s1
InChIKeyRIFIOUOJHPAPAK-SNVBAGLBSA-N
XLogP1.04
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4,4-dichlorobutyl benzoate
CID 154188373
4-bromopentyl benzoate
CID 11288720
4-methoxypentyl benzoate
CID 177401647
[(4S)-4-cyano-4-hydroxybutyl] benzoate
CID 101359500
4-methylheptyl benzoate
CID 163114376
(2R)-2-amino-6-oxo-6-phenylhexanoic acid
CID 106702793
12-chlorododecyl benzoate
CID 89400525
14-methylpentadecyl benzoate
CID 141181298
3-benzoyloxypropyl(triphenyl)phosphanium;hydrobromide
CID 126958911
(111C)butyl benzoate
CID 11994383
2-benzoyloxyethyl benzoate;ethene
CID 67969171
butyl benzoate;dihydrochloride
CID 141031125

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-5-benzoyloxypentanoic acid?
The IUPAC name of (2R)-2-amino-5-benzoyloxypentanoic acid (CID 96559711) is (2R)-2-amino-5-benzoyloxypentanoic acid.
What is the SMILES notation for (2R)-2-amino-5-benzoyloxypentanoic acid?
The canonical SMILES for (2R)-2-amino-5-benzoyloxypentanoic acid is N[C@H](CCCOC(=O)c1ccccc1)C(=O)O.
What is the InChIKey of (2R)-2-amino-5-benzoyloxypentanoic acid?
The InChIKey is RIFIOUOJHPAPAK-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H15NO4/c13-10(11(14)15)7-4-8-17-12(16)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8,13H2,(H,14,15)/t10-/m1/s1.
What are the key properties of (2R)-2-amino-5-benzoyloxypentanoic acid?
(2R)-2-amino-5-benzoyloxypentanoic acid has a molecular weight of 237.26 g/mol, XLogP of 1.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-5-benzoyloxypentanoic acid is sourced from PubChem (CID 96559711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).