(3S,4R,5R)-4,5-dihydroxy-1-propylpiperidine-3-carboxylic acid

C9H17NO4 — CID 146160382

IUPAC(3S,4R,5R)-4,5-dihydroxy-1-propylpiperidine-3-carboxylic acid
SMILESCCCN1C[C@@H](O)[C@H](O)[C@@H](C(=O)O)C1
InChIInChI=1S/C9H17NO4/c1-2-3-10-4-6(9(13)14)8(12)7(11)5-10/h6-8,11-12H,2-5H2,1H3,(H,13,14)/t6-,7+,8+/m0/s1
InChIKeyRNWXBQBXRPVHBZ-XLPZGREQSA-N
MW203.24 g/mol
LogP-0.87
Rot. Bonds3

About (3S,4R,5R)-4,5-dihydroxy-1-propylpiperidine-3-carboxylic acid

(3S,4R,5R)-4,5-dihydroxy-1-propylpiperidine-3-carboxylic acid (PubChem CID 146160382) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is (3S,4R,5R)-4,5-dihydroxy-1-propylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S,4R,5R)-4,5-dihydroxy-1-propylpiperidine-3-carboxylic acid
PubChem CID146160382
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Name(3S,4R,5R)-4,5-dihydroxy-1-propylpiperidine-3-carboxylic acid
SMILESCCCN1C[C@@H](O)[C@H](O)[C@@H](C(=O)O)C1
InChIInChI=1S/C9H17NO4/c1-2-3-10-4-6(9(13)14)8(12)7(11)5-10/h6-8,11-12H,2-5H2,1H3,(H,13,14)/t6-,7+,8+/m0/s1
InChIKeyRNWXBQBXRPVHBZ-XLPZGREQSA-N
XLogP-0.87
TPSA81.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 5-0.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S,4R,5R)-4,5-dihydroxy-1-propylpiperidine-3-carboxylic acid?
The IUPAC name of (3S,4R,5R)-4,5-dihydroxy-1-propylpiperidine-3-carboxylic acid (CID 146160382) is (3S,4R,5R)-4,5-dihydroxy-1-propylpiperidine-3-carboxylic acid.
What is the SMILES notation for (3S,4R,5R)-4,5-dihydroxy-1-propylpiperidine-3-carboxylic acid?
The canonical SMILES for (3S,4R,5R)-4,5-dihydroxy-1-propylpiperidine-3-carboxylic acid is CCCN1C[C@@H](O)[C@H](O)[C@@H](C(=O)O)C1.
What is the InChIKey of (3S,4R,5R)-4,5-dihydroxy-1-propylpiperidine-3-carboxylic acid?
The InChIKey is RNWXBQBXRPVHBZ-XLPZGREQSA-N. The full InChI is InChI=1S/C9H17NO4/c1-2-3-10-4-6(9(13)14)8(12)7(11)5-10/h6-8,11-12H,2-5H2,1H3,(H,13,14)/t6-,7+,8+/m0/s1.
What are the key properties of (3S,4R,5R)-4,5-dihydroxy-1-propylpiperidine-3-carboxylic acid?
(3S,4R,5R)-4,5-dihydroxy-1-propylpiperidine-3-carboxylic acid has a molecular weight of 203.24 g/mol, XLogP of -0.87, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R,5R)-4,5-dihydroxy-1-propylpiperidine-3-carboxylic acid is sourced from PubChem (CID 146160382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).