benzyl 5-aminooxypentanoate

C12H17NO3 — CID 71521535

IUPACbenzyl 5-aminooxypentanoate
SMILESNOCCCCC(=O)OCc1ccccc1
InChIInChI=1S/C12H17NO3/c13-16-9-5-4-8-12(14)15-10-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10,13H2
InChIKeyUCMJENUOGGBRQN-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.79
Rot. Bonds7

About benzyl 5-aminooxypentanoate

benzyl 5-aminooxypentanoate (PubChem CID 71521535) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is benzyl 5-aminooxypentanoate.

Molecular Properties

Compound Namebenzyl 5-aminooxypentanoate
PubChem CID71521535
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Namebenzyl 5-aminooxypentanoate
SMILESNOCCCCC(=O)OCc1ccccc1
InChIInChI=1S/C12H17NO3/c13-16-9-5-4-8-12(14)15-10-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10,13H2
InChIKeyUCMJENUOGGBRQN-UHFFFAOYSA-N
XLogP1.79
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

benzyl 5-hydroxypentanoate
CID 19788674
26-oxo-26-phenylmethoxyhexacosanoic acid
CID 155487553
benzyl 5-(trifluoromethoxy)pentanoate
CID 163279648
benzyl 4-phenylbutanoate
CID 11961623
benzyl 6-phosphonooxyhexanoate
CID 156534469
benzyl 6-aminohexanoate;hydrochloride
CID 67401791
benzyl 16-chloro-16-oxohexadecanoate
CID 131724893
benzyl heptadecanoate
CID 522569
benzyl 12-oxotridecanoate
CID 21035822
benzyl 4-aminobutanoate;hydrochloride
CID 18707498
4-O-amino 1-O-benzyl butanedioate
CID 54013080
benzyl 10-oxo-11-phenylundecanoate
CID 170190928

Frequently Asked Questions

What is the IUPAC name of benzyl 5-aminooxypentanoate?
The IUPAC name of benzyl 5-aminooxypentanoate (CID 71521535) is benzyl 5-aminooxypentanoate.
What is the SMILES notation for benzyl 5-aminooxypentanoate?
The canonical SMILES for benzyl 5-aminooxypentanoate is NOCCCCC(=O)OCc1ccccc1.
What is the InChIKey of benzyl 5-aminooxypentanoate?
The InChIKey is UCMJENUOGGBRQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c13-16-9-5-4-8-12(14)15-10-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10,13H2.
What are the key properties of benzyl 5-aminooxypentanoate?
benzyl 5-aminooxypentanoate has a molecular weight of 223.27 g/mol, XLogP of 1.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 5-aminooxypentanoate is sourced from PubChem (CID 71521535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).