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

C13H20N2O7S — CID 130300136

IUPAC(2S,5R)-5-(phenylmethoxyamino)piperidine-2-carboxylic acid;sulfuric acid
SMILESO=C(O)[C@@H]1CC[C@@H](NOCc2ccccc2)CN1.O=S(=O)(O)O
InChIInChI=1S/C13H18N2O3.H2O4S/c16-13(17)12-7-6-11(8-14-12)15-18-9-10-4-2-1-3-5-10;1-5(2,3)4/h1-5,11-12,14-15H,6-9H2,(H,16,17);(H2,1,2,3,4)/t11-,12+;/m1./s1
InChIKeyIJXOSFHHZWLISH-LYCTWNKOSA-N
MW348.38 g/mol
LogP0.26
Rot. Bonds5

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

(2S,5R)-5-(phenylmethoxyamino)piperidine-2-carboxylic acid;sulfuric acid (PubChem CID 130300136) has the molecular formula C13H20N2O7S and a molecular weight of 348.38 g/mol. Its IUPAC name is (2S,5R)-5-(phenylmethoxyamino)piperidine-2-carboxylic acid;sulfuric acid.

Molecular Properties

Compound Name(2S,5R)-5-(phenylmethoxyamino)piperidine-2-carboxylic acid;sulfuric acid
PubChem CID130300136
Molecular FormulaC13H20N2O7S
Molecular Weight348.38 g/mol
Exact Mass348.10
IUPAC Name(2S,5R)-5-(phenylmethoxyamino)piperidine-2-carboxylic acid;sulfuric acid
SMILESO=C(O)[C@@H]1CC[C@@H](NOCc2ccccc2)CN1.O=S(=O)(O)O
InChIInChI=1S/C13H18N2O3.H2O4S/c16-13(17)12-7-6-11(8-14-12)15-18-9-10-4-2-1-3-5-10;1-5(2,3)4/h1-5,11-12,14-15H,6-9H2,(H,16,17);(H2,1,2,3,4)/t11-,12+;/m1./s1
InChIKeyIJXOSFHHZWLISH-LYCTWNKOSA-N
XLogP0.26
TPSA145.19 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 50.26
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze (2S,5R)-5-(phenylmethoxyamino)piperidine-2-carboxylic acid;sulfuric acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,5R)-5-(phenylmethoxyamino)piperidine-2-carboxylic acid
CID 87217512
(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;sulfuric acid?
The IUPAC name of (2S,5R)-5-(phenylmethoxyamino)piperidine-2-carboxylic acid;sulfuric acid (CID 130300136) is (2S,5R)-5-(phenylmethoxyamino)piperidine-2-carboxylic acid;sulfuric acid.
What is the SMILES notation for (2S,5R)-5-(phenylmethoxyamino)piperidine-2-carboxylic acid;sulfuric acid?
The canonical SMILES for (2S,5R)-5-(phenylmethoxyamino)piperidine-2-carboxylic acid;sulfuric acid is O=C(O)[C@@H]1CC[C@@H](NOCc2ccccc2)CN1.O=S(=O)(O)O.
What is the InChIKey of (2S,5R)-5-(phenylmethoxyamino)piperidine-2-carboxylic acid;sulfuric acid?
The InChIKey is IJXOSFHHZWLISH-LYCTWNKOSA-N. The full InChI is InChI=1S/C13H18N2O3.H2O4S/c16-13(17)12-7-6-11(8-14-12)15-18-9-10-4-2-1-3-5-10;1-5(2,3)4/h1-5,11-12,14-15H,6-9H2,(H,16,17);(H2,1,2,3,4)/t11-,12+;/m1./s1.
What are the key properties of (2S,5R)-5-(phenylmethoxyamino)piperidine-2-carboxylic acid;sulfuric acid?
(2S,5R)-5-(phenylmethoxyamino)piperidine-2-carboxylic acid;sulfuric acid has a molecular weight of 348.38 g/mol, XLogP of 0.26, 5 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-(phenylmethoxyamino)piperidine-2-carboxylic acid;sulfuric acid is sourced from PubChem (CID 130300136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).