(2R)-2-amino-1-[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)piperidin-1-yl]-4-methylpentan-1-one

C12H24N2O4 — CID 51357587

IUPAC(2R)-2-amino-1-[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)piperidin-1-yl]-4-methylpentan-1-one
SMILESCC(C)C[C@@H](N)C(=O)N1C[C@H](CO)[C@@H](O)[C@H](O)C1
InChIInChI=1S/C12H24N2O4/c1-7(2)3-9(13)12(18)14-4-8(6-15)11(17)10(16)5-14/h7-11,15-17H,3-6,13H2,1-2H3/t8-,9-,10-,11-/m1/s1
InChIKeyZFUZWZZLZVQRRH-GWOFURMSSA-N
MW260.33 g/mol
LogP-1.47
Rot. Bonds4

About (2R)-2-amino-1-[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)piperidin-1-yl]-4-methylpentan-1-one

(2R)-2-amino-1-[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)piperidin-1-yl]-4-methylpentan-1-one (PubChem CID 51357587) has the molecular formula C12H24N2O4 and a molecular weight of 260.33 g/mol. Its IUPAC name is (2R)-2-amino-1-[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)piperidin-1-yl]-4-methylpentan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-1-[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)piperidin-1-yl]-4-methylpentan-1-one
PubChem CID51357587
Molecular FormulaC12H24N2O4
Molecular Weight260.33 g/mol
Exact Mass260.17
IUPAC Name(2R)-2-amino-1-[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)piperidin-1-yl]-4-methylpentan-1-one
SMILESCC(C)C[C@@H](N)C(=O)N1C[C@H](CO)[C@@H](O)[C@H](O)C1
InChIInChI=1S/C12H24N2O4/c1-7(2)3-9(13)12(18)14-4-8(6-15)11(17)10(16)5-14/h7-11,15-17H,3-6,13H2,1-2H3/t8-,9-,10-,11-/m1/s1
InChIKeyZFUZWZZLZVQRRH-GWOFURMSSA-N
XLogP-1.47
TPSA107.02 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 5-1.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)piperidin-1-yl]-4-methylpentan-1-one?
The IUPAC name of (2R)-2-amino-1-[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)piperidin-1-yl]-4-methylpentan-1-one (CID 51357587) is (2R)-2-amino-1-[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)piperidin-1-yl]-4-methylpentan-1-one.
What is the SMILES notation for (2R)-2-amino-1-[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)piperidin-1-yl]-4-methylpentan-1-one?
The canonical SMILES for (2R)-2-amino-1-[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)piperidin-1-yl]-4-methylpentan-1-one is CC(C)C[C@@H](N)C(=O)N1C[C@H](CO)[C@@H](O)[C@H](O)C1.
What is the InChIKey of (2R)-2-amino-1-[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)piperidin-1-yl]-4-methylpentan-1-one?
The InChIKey is ZFUZWZZLZVQRRH-GWOFURMSSA-N. The full InChI is InChI=1S/C12H24N2O4/c1-7(2)3-9(13)12(18)14-4-8(6-15)11(17)10(16)5-14/h7-11,15-17H,3-6,13H2,1-2H3/t8-,9-,10-,11-/m1/s1.
What are the key properties of (2R)-2-amino-1-[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)piperidin-1-yl]-4-methylpentan-1-one?
(2R)-2-amino-1-[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)piperidin-1-yl]-4-methylpentan-1-one has a molecular weight of 260.33 g/mol, XLogP of -1.47, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)piperidin-1-yl]-4-methylpentan-1-one is sourced from PubChem (CID 51357587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).