hydroxylamine;methyl 1-benzyl-3-ethylpyrrolidine-3-carboxylate

C15H24N2O3 — CID 143488487

IUPAChydroxylamine;methyl 1-benzyl-3-ethylpyrrolidine-3-carboxylate
SMILESCCC1(C(=O)OC)CCN(Cc2ccccc2)C1.NO
InChIInChI=1S/C15H21NO2.H3NO/c1-3-15(14(17)18-2)9-10-16(12-15)11-13-7-5-4-6-8-13;1-2/h4-8H,3,9-12H2,1-2H3;2H,1H2
InChIKeyOIZFGSJNHUQQRO-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.80
Rot. Bonds4

About hydroxylamine;methyl 1-benzyl-3-ethylpyrrolidine-3-carboxylate

hydroxylamine;methyl 1-benzyl-3-ethylpyrrolidine-3-carboxylate (PubChem CID 143488487) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is hydroxylamine;methyl 1-benzyl-3-ethylpyrrolidine-3-carboxylate.

Molecular Properties

Compound Namehydroxylamine;methyl 1-benzyl-3-ethylpyrrolidine-3-carboxylate
PubChem CID143488487
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Namehydroxylamine;methyl 1-benzyl-3-ethylpyrrolidine-3-carboxylate
SMILESCCC1(C(=O)OC)CCN(Cc2ccccc2)C1.NO
InChIInChI=1S/C15H21NO2.H3NO/c1-3-15(14(17)18-2)9-10-16(12-15)11-13-7-5-4-6-8-13;1-2/h4-8H,3,9-12H2,1-2H3;2H,1H2
InChIKeyOIZFGSJNHUQQRO-UHFFFAOYSA-N
XLogP1.80
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 1-benzyl-3-ethylpyrrolidine-3-carboxylate
CID 59511336
methyl 3-(aminomethyl)-1-benzylpyrrolidine-3-carboxylate
CID 67228894
ethyl 1-benzyl-3-(fluoromethyl)pyrrolidine-3-carboxylate
CID 54443836
methyl 4-amino-1-benzylpiperidine-4-carboxylate
CID 3044632
methyl 1-benzyl-4-[2-oxo-2-(N-phenylanilino)ethyl]piperidine-4-carboxylate
CID 170355482
(3S)-1,3-dibenzylpyrrolidine-3-carboxylic acid
CID 34180361
1-O-benzyl 3-O-methyl (3S)-3-ethylpiperidine-1,3-dicarboxylate
CID 97103844
methyl 2-(1-benzyl-4-hydroxypiperidin-4-yl)butanoate
CID 62394914
1-benzyl-3-(fluoromethyl)pyrrolidine-3-carboxylic acid
CID 19691457
ethyl 1-benzyl-4-[hydroxy(methoxy)methyl]piperidine-4-carboxylate
CID 163783877
1-benzyl-3-hydroxypiperidine-3-carboxylic acid;methane;methyl 1-benzyl-3-hydroxypiperidine-3-carboxylate
CID 158643685
(1-benzyl-3-methoxypyrrolidin-3-yl)methanol
CID 19382171

Frequently Asked Questions

What is the IUPAC name of hydroxylamine;methyl 1-benzyl-3-ethylpyrrolidine-3-carboxylate?
The IUPAC name of hydroxylamine;methyl 1-benzyl-3-ethylpyrrolidine-3-carboxylate (CID 143488487) is hydroxylamine;methyl 1-benzyl-3-ethylpyrrolidine-3-carboxylate.
What is the SMILES notation for hydroxylamine;methyl 1-benzyl-3-ethylpyrrolidine-3-carboxylate?
The canonical SMILES for hydroxylamine;methyl 1-benzyl-3-ethylpyrrolidine-3-carboxylate is CCC1(C(=O)OC)CCN(Cc2ccccc2)C1.NO.
What is the InChIKey of hydroxylamine;methyl 1-benzyl-3-ethylpyrrolidine-3-carboxylate?
The InChIKey is OIZFGSJNHUQQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2.H3NO/c1-3-15(14(17)18-2)9-10-16(12-15)11-13-7-5-4-6-8-13;1-2/h4-8H,3,9-12H2,1-2H3;2H,1H2.
What are the key properties of hydroxylamine;methyl 1-benzyl-3-ethylpyrrolidine-3-carboxylate?
hydroxylamine;methyl 1-benzyl-3-ethylpyrrolidine-3-carboxylate has a molecular weight of 280.37 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxylamine;methyl 1-benzyl-3-ethylpyrrolidine-3-carboxylate is sourced from PubChem (CID 143488487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).