[(2R)-1-hydroxy-3,3-dimethyl-2-(pyridin-4-ylmethyl)butan-2-yl]carbamic acid

C13H20N2O3 — CID 69107403

IUPAC[(2R)-1-hydroxy-3,3-dimethyl-2-(pyridin-4-ylmethyl)butan-2-yl]carbamic acid
SMILESCC(C)(C)[C@@](CO)(Cc1ccncc1)NC(=O)O
InChIInChI=1S/C13H20N2O3/c1-12(2,3)13(9-16,15-11(17)18)8-10-4-6-14-7-5-10/h4-7,15-16H,8-9H2,1-3H3,(H,17,18)/t13-/m0/s1
InChIKeyBMEVJTMERFXDKU-ZDUSSCGKSA-N
MW252.31 g/mol
LogP1.67
Rot. Bonds4

About [(2R)-1-hydroxy-3,3-dimethyl-2-(pyridin-4-ylmethyl)butan-2-yl]carbamic acid

[(2R)-1-hydroxy-3,3-dimethyl-2-(pyridin-4-ylmethyl)butan-2-yl]carbamic acid (PubChem CID 69107403) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is [(2R)-1-hydroxy-3,3-dimethyl-2-(pyridin-4-ylmethyl)butan-2-yl]carbamic acid.

Molecular Properties

Compound Name[(2R)-1-hydroxy-3,3-dimethyl-2-(pyridin-4-ylmethyl)butan-2-yl]carbamic acid
PubChem CID69107403
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name[(2R)-1-hydroxy-3,3-dimethyl-2-(pyridin-4-ylmethyl)butan-2-yl]carbamic acid
SMILESCC(C)(C)[C@@](CO)(Cc1ccncc1)NC(=O)O
InChIInChI=1S/C13H20N2O3/c1-12(2,3)13(9-16,15-11(17)18)8-10-4-6-14-7-5-10/h4-7,15-16H,8-9H2,1-3H3,(H,17,18)/t13-/m0/s1
InChIKeyBMEVJTMERFXDKU-ZDUSSCGKSA-N
XLogP1.67
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2R)-1-hydroxy-3,3-dimethyl-2-(pyridin-4-ylmethyl)butan-2-yl]carbamic acid?
The IUPAC name of [(2R)-1-hydroxy-3,3-dimethyl-2-(pyridin-4-ylmethyl)butan-2-yl]carbamic acid (CID 69107403) is [(2R)-1-hydroxy-3,3-dimethyl-2-(pyridin-4-ylmethyl)butan-2-yl]carbamic acid.
What is the SMILES notation for [(2R)-1-hydroxy-3,3-dimethyl-2-(pyridin-4-ylmethyl)butan-2-yl]carbamic acid?
The canonical SMILES for [(2R)-1-hydroxy-3,3-dimethyl-2-(pyridin-4-ylmethyl)butan-2-yl]carbamic acid is CC(C)(C)[C@@](CO)(Cc1ccncc1)NC(=O)O.
What is the InChIKey of [(2R)-1-hydroxy-3,3-dimethyl-2-(pyridin-4-ylmethyl)butan-2-yl]carbamic acid?
The InChIKey is BMEVJTMERFXDKU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-12(2,3)13(9-16,15-11(17)18)8-10-4-6-14-7-5-10/h4-7,15-16H,8-9H2,1-3H3,(H,17,18)/t13-/m0/s1.
What are the key properties of [(2R)-1-hydroxy-3,3-dimethyl-2-(pyridin-4-ylmethyl)butan-2-yl]carbamic acid?
[(2R)-1-hydroxy-3,3-dimethyl-2-(pyridin-4-ylmethyl)butan-2-yl]carbamic acid has a molecular weight of 252.31 g/mol, XLogP of 1.67, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-hydroxy-3,3-dimethyl-2-(pyridin-4-ylmethyl)butan-2-yl]carbamic acid is sourced from PubChem (CID 69107403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).