(2R)-2,4-dihydroxy-3,3-dimethyl-N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]butanamide

C15H23N3O4 — CID 90682455

IUPAC(2R)-2,4-dihydroxy-3,3-dimethyl-N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]butanamide
SMILESCC(C)(CO)[C@@H](O)C(=O)NCCC(=O)NCc1ccccn1
InChIInChI=1S/C15H23N3O4/c1-15(2,10-19)13(21)14(22)17-8-6-12(20)18-9-11-5-3-4-7-16-11/h3-5,7,13,19,21H,6,8-10H2,1-2H3,(H,17,22)(H,18,20)/t13-/m0/s1
InChIKeyWGSGRAMIZSARRY-ZDUSSCGKSA-N
MW309.37 g/mol
LogP-0.42
Rot. Bonds8

About (2R)-2,4-dihydroxy-3,3-dimethyl-N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]butanamide

(2R)-2,4-dihydroxy-3,3-dimethyl-N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]butanamide (PubChem CID 90682455) has the molecular formula C15H23N3O4 and a molecular weight of 309.37 g/mol. Its IUPAC name is (2R)-2,4-dihydroxy-3,3-dimethyl-N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]butanamide.

Molecular Properties

Compound Name(2R)-2,4-dihydroxy-3,3-dimethyl-N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]butanamide
PubChem CID90682455
Molecular FormulaC15H23N3O4
Molecular Weight309.37 g/mol
Exact Mass309.17
IUPAC Name(2R)-2,4-dihydroxy-3,3-dimethyl-N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]butanamide
SMILESCC(C)(CO)[C@@H](O)C(=O)NCCC(=O)NCc1ccccn1
InChIInChI=1S/C15H23N3O4/c1-15(2,10-19)13(21)14(22)17-8-6-12(20)18-9-11-5-3-4-7-16-11/h3-5,7,13,19,21H,6,8-10H2,1-2H3,(H,17,22)(H,18,20)/t13-/m0/s1
InChIKeyWGSGRAMIZSARRY-ZDUSSCGKSA-N
XLogP-0.42
TPSA111.55 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 5-0.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2,4-dihydroxy-3,3-dimethyl-N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]butanamide?
The IUPAC name of (2R)-2,4-dihydroxy-3,3-dimethyl-N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]butanamide (CID 90682455) is (2R)-2,4-dihydroxy-3,3-dimethyl-N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]butanamide.
What is the SMILES notation for (2R)-2,4-dihydroxy-3,3-dimethyl-N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]butanamide?
The canonical SMILES for (2R)-2,4-dihydroxy-3,3-dimethyl-N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]butanamide is CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)NCc1ccccn1.
What is the InChIKey of (2R)-2,4-dihydroxy-3,3-dimethyl-N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]butanamide?
The InChIKey is WGSGRAMIZSARRY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H23N3O4/c1-15(2,10-19)13(21)14(22)17-8-6-12(20)18-9-11-5-3-4-7-16-11/h3-5,7,13,19,21H,6,8-10H2,1-2H3,(H,17,22)(H,18,20)/t13-/m0/s1.
What are the key properties of (2R)-2,4-dihydroxy-3,3-dimethyl-N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]butanamide?
(2R)-2,4-dihydroxy-3,3-dimethyl-N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]butanamide has a molecular weight of 309.37 g/mol, XLogP of -0.42, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2,4-dihydroxy-3,3-dimethyl-N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]butanamide is sourced from PubChem (CID 90682455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).