(3R,5S)-5-[[(2E)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]methyl]piperidine-3-carboxylic acid

C15H21N3O3 — CID 155569394

IUPAC(3R,5S)-5-[[(2E)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]methyl]piperidine-3-carboxylic acid
SMILESCOc1ccccc1/C=N/NC[C@@H]1CNC[C@H](C(=O)O)C1
InChIInChI=1S/C15H21N3O3/c1-21-14-5-3-2-4-12(14)10-18-17-8-11-6-13(15(19)20)9-16-7-11/h2-5,10-11,13,16-17H,6-9H2,1H3,(H,19,20)/b18-10+/t11-,13+/m0/s1
InChIKeyDIAQMAMLDIWKFV-UTDPFQHASA-N
MW291.35 g/mol
LogP0.93
Rot. Bonds6

About (3R,5S)-5-[[(2E)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]methyl]piperidine-3-carboxylic acid

(3R,5S)-5-[[(2E)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]methyl]piperidine-3-carboxylic acid (PubChem CID 155569394) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is (3R,5S)-5-[[(2E)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]methyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R,5S)-5-[[(2E)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]methyl]piperidine-3-carboxylic acid
PubChem CID155569394
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name(3R,5S)-5-[[(2E)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]methyl]piperidine-3-carboxylic acid
SMILESCOc1ccccc1/C=N/NC[C@@H]1CNC[C@H](C(=O)O)C1
InChIInChI=1S/C15H21N3O3/c1-21-14-5-3-2-4-12(14)10-18-17-8-11-6-13(15(19)20)9-16-7-11/h2-5,10-11,13,16-17H,6-9H2,1H3,(H,19,20)/b18-10+/t11-,13+/m0/s1
InChIKeyDIAQMAMLDIWKFV-UTDPFQHASA-N
XLogP0.93
TPSA82.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_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 (3R,5S)-5-[[(2E)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]methyl]piperidine-3-carboxylic acid?
The IUPAC name of (3R,5S)-5-[[(2E)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]methyl]piperidine-3-carboxylic acid (CID 155569394) is (3R,5S)-5-[[(2E)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]methyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3R,5S)-5-[[(2E)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]methyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3R,5S)-5-[[(2E)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]methyl]piperidine-3-carboxylic acid is COc1ccccc1/C=N/NC[C@@H]1CNC[C@H](C(=O)O)C1.
What is the InChIKey of (3R,5S)-5-[[(2E)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]methyl]piperidine-3-carboxylic acid?
The InChIKey is DIAQMAMLDIWKFV-UTDPFQHASA-N. The full InChI is InChI=1S/C15H21N3O3/c1-21-14-5-3-2-4-12(14)10-18-17-8-11-6-13(15(19)20)9-16-7-11/h2-5,10-11,13,16-17H,6-9H2,1H3,(H,19,20)/b18-10+/t11-,13+/m0/s1.
What are the key properties of (3R,5S)-5-[[(2E)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]methyl]piperidine-3-carboxylic acid?
(3R,5S)-5-[[(2E)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]methyl]piperidine-3-carboxylic acid has a molecular weight of 291.35 g/mol, XLogP of 0.93, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-5-[[(2E)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]methyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 155569394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).