(2S,3S,4R,5R)-4,5-dihydroxy-2-nonylpiperidine-3-carboxylic acid

C15H29NO4 — CID 155387698

IUPAC(2S,3S,4R,5R)-4,5-dihydroxy-2-nonylpiperidine-3-carboxylic acid
SMILESCCCCCCCCC[C@@H]1NC[C@@H](O)[C@H](O)[C@H]1C(=O)O
InChIInChI=1S/C15H29NO4/c1-2-3-4-5-6-7-8-9-11-13(15(19)20)14(18)12(17)10-16-11/h11-14,16-18H,2-10H2,1H3,(H,19,20)/t11-,12+,13-,14-/m0/s1
InChIKeyPFGVLKMJAGVUAN-CRWXNKLISA-N
MW287.40 g/mol
LogP1.52
Rot. Bonds9

About (2S,3S,4R,5R)-4,5-dihydroxy-2-nonylpiperidine-3-carboxylic acid

(2S,3S,4R,5R)-4,5-dihydroxy-2-nonylpiperidine-3-carboxylic acid (PubChem CID 155387698) has the molecular formula C15H29NO4 and a molecular weight of 287.40 g/mol. Its IUPAC name is (2S,3S,4R,5R)-4,5-dihydroxy-2-nonylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name(2S,3S,4R,5R)-4,5-dihydroxy-2-nonylpiperidine-3-carboxylic acid
PubChem CID155387698
Molecular FormulaC15H29NO4
Molecular Weight287.40 g/mol
Exact Mass287.21
IUPAC Name(2S,3S,4R,5R)-4,5-dihydroxy-2-nonylpiperidine-3-carboxylic acid
SMILESCCCCCCCCC[C@@H]1NC[C@@H](O)[C@H](O)[C@H]1C(=O)O
InChIInChI=1S/C15H29NO4/c1-2-3-4-5-6-7-8-9-11-13(15(19)20)14(18)12(17)10-16-11/h11-14,16-18H,2-10H2,1H3,(H,19,20)/t11-,12+,13-,14-/m0/s1
InChIKeyPFGVLKMJAGVUAN-CRWXNKLISA-N
XLogP1.52
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 51.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R,5R)-4,5-dihydroxy-2-nonylpiperidine-3-carboxylic acid?
The IUPAC name of (2S,3S,4R,5R)-4,5-dihydroxy-2-nonylpiperidine-3-carboxylic acid (CID 155387698) is (2S,3S,4R,5R)-4,5-dihydroxy-2-nonylpiperidine-3-carboxylic acid.
What is the SMILES notation for (2S,3S,4R,5R)-4,5-dihydroxy-2-nonylpiperidine-3-carboxylic acid?
The canonical SMILES for (2S,3S,4R,5R)-4,5-dihydroxy-2-nonylpiperidine-3-carboxylic acid is CCCCCCCCC[C@@H]1NC[C@@H](O)[C@H](O)[C@H]1C(=O)O.
What is the InChIKey of (2S,3S,4R,5R)-4,5-dihydroxy-2-nonylpiperidine-3-carboxylic acid?
The InChIKey is PFGVLKMJAGVUAN-CRWXNKLISA-N. The full InChI is InChI=1S/C15H29NO4/c1-2-3-4-5-6-7-8-9-11-13(15(19)20)14(18)12(17)10-16-11/h11-14,16-18H,2-10H2,1H3,(H,19,20)/t11-,12+,13-,14-/m0/s1.
What are the key properties of (2S,3S,4R,5R)-4,5-dihydroxy-2-nonylpiperidine-3-carboxylic acid?
(2S,3S,4R,5R)-4,5-dihydroxy-2-nonylpiperidine-3-carboxylic acid has a molecular weight of 287.40 g/mol, XLogP of 1.52, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R,5R)-4,5-dihydroxy-2-nonylpiperidine-3-carboxylic acid is sourced from PubChem (CID 155387698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).