(2S,5R)-5-(phenylmethoxyamino)piperidine-2-carboxylic acid

C13H18N2O3 — CID 87217512

IUPAC(2S,5R)-5-(phenylmethoxyamino)piperidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CC[C@@H](NOCc2ccccc2)CN1
InChIInChI=1S/C13H18N2O3/c16-13(17)12-7-6-11(8-14-12)15-18-9-10-4-2-1-3-5-10/h1-5,11-12,14-15H,6-9H2,(H,16,17)/t11-,12+/m1/s1
InChIKeyCDZNTXLXEGFPLP-NEPJUHHUSA-N
MW250.30 g/mol
LogP0.91
Rot. Bonds5

About (2S,5R)-5-(phenylmethoxyamino)piperidine-2-carboxylic acid

(2S,5R)-5-(phenylmethoxyamino)piperidine-2-carboxylic acid (PubChem CID 87217512) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is (2S,5R)-5-(phenylmethoxyamino)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,5R)-5-(phenylmethoxyamino)piperidine-2-carboxylic acid
PubChem CID87217512
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name(2S,5R)-5-(phenylmethoxyamino)piperidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CC[C@@H](NOCc2ccccc2)CN1
InChIInChI=1S/C13H18N2O3/c16-13(17)12-7-6-11(8-14-12)15-18-9-10-4-2-1-3-5-10/h1-5,11-12,14-15H,6-9H2,(H,16,17)/t11-,12+/m1/s1
InChIKeyCDZNTXLXEGFPLP-NEPJUHHUSA-N
XLogP0.91
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S,5R)-5-(phenylmethoxyamino)piperidine-2-carboxylic acid;sulfuric acid
CID 130300136
(2S,5R)-5-(phenylmethoxyamino)piperidine-2-carboxamide;dihydrochloride
CID 156834463
benzyl (2S,5R)-5-(phenylmethoxyamino)piperidine-2-carboxylate
CID 70673934
bis[(2R,5R)-5-(phenylmethoxyamino)piperidine-2-carbonyl] oxalate
CID 175028202
benzyl (2R,5S)-5-(phenylmethoxyamino)piperidine-2-carboxylate;oxalic acid
CID 175022601
ethyl (2S)-5-(phenylmethoxyamino)piperidine-2-carboxylate
CID 134692711
tert-butyl 5-(phenylmethoxyamino)piperidine-2-carboxylate
CID 76534506
1-O-methyl 2-O-[(2S,5R)-5-(phenylmethoxyamino)piperidine-2-carbonyl] oxalate
CID 175024507
5-(benzylamino)piperidine-2-carboxylic acid
CID 175512440
5-phenylmethoxypiperidine-2-carboxylic acid
CID 83646959
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

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(phenylmethoxyamino)piperidine-2-carboxylic acid?
The IUPAC name of (2S,5R)-5-(phenylmethoxyamino)piperidine-2-carboxylic acid (CID 87217512) is (2S,5R)-5-(phenylmethoxyamino)piperidine-2-carboxylic acid.
What is the SMILES notation for (2S,5R)-5-(phenylmethoxyamino)piperidine-2-carboxylic acid?
The canonical SMILES for (2S,5R)-5-(phenylmethoxyamino)piperidine-2-carboxylic acid is O=C(O)[C@@H]1CC[C@@H](NOCc2ccccc2)CN1.
What is the InChIKey of (2S,5R)-5-(phenylmethoxyamino)piperidine-2-carboxylic acid?
The InChIKey is CDZNTXLXEGFPLP-NEPJUHHUSA-N. The full InChI is InChI=1S/C13H18N2O3/c16-13(17)12-7-6-11(8-14-12)15-18-9-10-4-2-1-3-5-10/h1-5,11-12,14-15H,6-9H2,(H,16,17)/t11-,12+/m1/s1.
What are the key properties of (2S,5R)-5-(phenylmethoxyamino)piperidine-2-carboxylic acid?
(2S,5R)-5-(phenylmethoxyamino)piperidine-2-carboxylic acid has a molecular weight of 250.30 g/mol, XLogP of 0.91, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-(phenylmethoxyamino)piperidine-2-carboxylic acid is sourced from PubChem (CID 87217512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).