ethyl (2S)-5-(phenylmethoxyamino)piperidine-2-carboxylate

C15H22N2O3 — CID 134692711

IUPACethyl (2S)-5-(phenylmethoxyamino)piperidine-2-carboxylate
SMILESCCOC(=O)[C@@H]1CCC(NOCc2ccccc2)CN1
InChIInChI=1S/C15H22N2O3/c1-2-19-15(18)14-9-8-13(10-16-14)17-20-11-12-6-4-3-5-7-12/h3-7,13-14,16-17H,2,8-11H2,1H3/t13?,14-/m0/s1
InChIKeyHJFGESFJQKOOEY-KZUDCZAMSA-N
MW278.35 g/mol
LogP1.39
Rot. Bonds6

About ethyl (2S)-5-(phenylmethoxyamino)piperidine-2-carboxylate

ethyl (2S)-5-(phenylmethoxyamino)piperidine-2-carboxylate (PubChem CID 134692711) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is ethyl (2S)-5-(phenylmethoxyamino)piperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl (2S)-5-(phenylmethoxyamino)piperidine-2-carboxylate
PubChem CID134692711
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Nameethyl (2S)-5-(phenylmethoxyamino)piperidine-2-carboxylate
SMILESCCOC(=O)[C@@H]1CCC(NOCc2ccccc2)CN1
InChIInChI=1S/C15H22N2O3/c1-2-19-15(18)14-9-8-13(10-16-14)17-20-11-12-6-4-3-5-7-12/h3-7,13-14,16-17H,2,8-11H2,1H3/t13?,14-/m0/s1
InChIKeyHJFGESFJQKOOEY-KZUDCZAMSA-N
XLogP1.39
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.39
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

benzyl (2S,5R)-5-(phenylmethoxyamino)piperidine-2-carboxylate
CID 70673934
benzyl (2R,5S)-5-(phenylmethoxyamino)piperidine-2-carboxylate;oxalic acid
CID 175022601
bis[(2R,5R)-5-(phenylmethoxyamino)piperidine-2-carbonyl] oxalate
CID 175028202
(2S,5R)-5-(phenylmethoxyamino)piperidine-2-carboxamide;dihydrochloride
CID 156834463
(2S,5R)-5-(phenylmethoxyamino)piperidine-2-carboxylic acid
CID 87217512
tert-butyl 5-(phenylmethoxyamino)piperidine-2-carboxylate
CID 76534506
1-O-methyl 2-O-[(2S,5R)-5-(phenylmethoxyamino)piperidine-2-carbonyl] oxalate
CID 175024507
ethyl (2S)-5-(benzylamino)piperidine-2-carboxylate
CID 175512442
(2S,5R)-5-(phenylmethoxyamino)piperidine-2-carboxylic acid;sulfuric acid
CID 130300136
benzyl [(2S,5R)-5-(phenylmethoxyamino)piperidin-2-yl] carbonate;oxalic acid
CID 121468793
tert-butyl 4-[[5-(phenylmethoxyamino)piperidine-2-carbonyl]amino]piperidine-1-carboxylate
CID 123544484
methyl (2S,5R)-5-(phenylmethoxymethyl)piperidine-2-carboxylate
CID 159350997

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-5-(phenylmethoxyamino)piperidine-2-carboxylate?
The IUPAC name of ethyl (2S)-5-(phenylmethoxyamino)piperidine-2-carboxylate (CID 134692711) is ethyl (2S)-5-(phenylmethoxyamino)piperidine-2-carboxylate.
What is the SMILES notation for ethyl (2S)-5-(phenylmethoxyamino)piperidine-2-carboxylate?
The canonical SMILES for ethyl (2S)-5-(phenylmethoxyamino)piperidine-2-carboxylate is CCOC(=O)[C@@H]1CCC(NOCc2ccccc2)CN1.
What is the InChIKey of ethyl (2S)-5-(phenylmethoxyamino)piperidine-2-carboxylate?
The InChIKey is HJFGESFJQKOOEY-KZUDCZAMSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-2-19-15(18)14-9-8-13(10-16-14)17-20-11-12-6-4-3-5-7-12/h3-7,13-14,16-17H,2,8-11H2,1H3/t13?,14-/m0/s1.
What are the key properties of ethyl (2S)-5-(phenylmethoxyamino)piperidine-2-carboxylate?
ethyl (2S)-5-(phenylmethoxyamino)piperidine-2-carboxylate has a molecular weight of 278.35 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-5-(phenylmethoxyamino)piperidine-2-carboxylate is sourced from PubChem (CID 134692711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).