(2S,4S)-4-[(2Z)-2-amino-2-hydroxyiminoethyl]-2-(2-methylpropyl)piperidine-1-carboxylic acid

C12H23N3O3 — CID 124639084

IUPAC(2S,4S)-4-[(2Z)-2-amino-2-hydroxyiminoethyl]-2-(2-methylpropyl)piperidine-1-carboxylic acid
SMILESCC(C)C[C@H]1C[C@@H](C/C(N)=N/O)CCN1C(=O)O
InChIInChI=1S/C12H23N3O3/c1-8(2)5-10-6-9(7-11(13)14-18)3-4-15(10)12(16)17/h8-10,18H,3-7H2,1-2H3,(H2,13,14)(H,16,17)/t9-,10-/m0/s1
InChIKeyZLTPVLRTWRHSPH-UWVGGRQHSA-N
MW257.33 g/mol
LogP1.93
Rot. Bonds4

About (2S,4S)-4-[(2Z)-2-amino-2-hydroxyiminoethyl]-2-(2-methylpropyl)piperidine-1-carboxylic acid

(2S,4S)-4-[(2Z)-2-amino-2-hydroxyiminoethyl]-2-(2-methylpropyl)piperidine-1-carboxylic acid (PubChem CID 124639084) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is (2S,4S)-4-[(2Z)-2-amino-2-hydroxyiminoethyl]-2-(2-methylpropyl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name(2S,4S)-4-[(2Z)-2-amino-2-hydroxyiminoethyl]-2-(2-methylpropyl)piperidine-1-carboxylic acid
PubChem CID124639084
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Name(2S,4S)-4-[(2Z)-2-amino-2-hydroxyiminoethyl]-2-(2-methylpropyl)piperidine-1-carboxylic acid
SMILESCC(C)C[C@H]1C[C@@H](C/C(N)=N/O)CCN1C(=O)O
InChIInChI=1S/C12H23N3O3/c1-8(2)5-10-6-9(7-11(13)14-18)3-4-15(10)12(16)17/h8-10,18H,3-7H2,1-2H3,(H2,13,14)(H,16,17)/t9-,10-/m0/s1
InChIKeyZLTPVLRTWRHSPH-UWVGGRQHSA-N
XLogP1.93
TPSA99.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-[(2Z)-2-amino-2-hydroxyiminoethyl]-2-(2-methylpropyl)piperidine-1-carboxylic acid?
The IUPAC name of (2S,4S)-4-[(2Z)-2-amino-2-hydroxyiminoethyl]-2-(2-methylpropyl)piperidine-1-carboxylic acid (CID 124639084) is (2S,4S)-4-[(2Z)-2-amino-2-hydroxyiminoethyl]-2-(2-methylpropyl)piperidine-1-carboxylic acid.
What is the SMILES notation for (2S,4S)-4-[(2Z)-2-amino-2-hydroxyiminoethyl]-2-(2-methylpropyl)piperidine-1-carboxylic acid?
The canonical SMILES for (2S,4S)-4-[(2Z)-2-amino-2-hydroxyiminoethyl]-2-(2-methylpropyl)piperidine-1-carboxylic acid is CC(C)C[C@H]1C[C@@H](C/C(N)=N/O)CCN1C(=O)O.
What is the InChIKey of (2S,4S)-4-[(2Z)-2-amino-2-hydroxyiminoethyl]-2-(2-methylpropyl)piperidine-1-carboxylic acid?
The InChIKey is ZLTPVLRTWRHSPH-UWVGGRQHSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-8(2)5-10-6-9(7-11(13)14-18)3-4-15(10)12(16)17/h8-10,18H,3-7H2,1-2H3,(H2,13,14)(H,16,17)/t9-,10-/m0/s1.
What are the key properties of (2S,4S)-4-[(2Z)-2-amino-2-hydroxyiminoethyl]-2-(2-methylpropyl)piperidine-1-carboxylic acid?
(2S,4S)-4-[(2Z)-2-amino-2-hydroxyiminoethyl]-2-(2-methylpropyl)piperidine-1-carboxylic acid has a molecular weight of 257.33 g/mol, XLogP of 1.93, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-[(2Z)-2-amino-2-hydroxyiminoethyl]-2-(2-methylpropyl)piperidine-1-carboxylic acid is sourced from PubChem (CID 124639084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).