(3-hydroxy-2-pyridin-2-ylpropyl) carbamate

C9H12N2O3 — CID 10420201

IUPAC(3-hydroxy-2-pyridin-2-ylpropyl) carbamate
SMILESNC(=O)OCC(CO)c1ccccn1
InChIInChI=1S/C9H12N2O3/c10-9(13)14-6-7(5-12)8-3-1-2-4-11-8/h1-4,7,12H,5-6H2,(H2,10,13)
InChIKeySUSRVNDUAOFEGV-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.25
Rot. Bonds4

About (3-hydroxy-2-pyridin-2-ylpropyl) carbamate

(3-hydroxy-2-pyridin-2-ylpropyl) carbamate (PubChem CID 10420201) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is (3-hydroxy-2-pyridin-2-ylpropyl) carbamate.

Molecular Properties

Compound Name(3-hydroxy-2-pyridin-2-ylpropyl) carbamate
PubChem CID10420201
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name(3-hydroxy-2-pyridin-2-ylpropyl) carbamate
SMILESNC(=O)OCC(CO)c1ccccn1
InChIInChI=1S/C9H12N2O3/c10-9(13)14-6-7(5-12)8-3-1-2-4-11-8/h1-4,7,12H,5-6H2,(H2,10,13)
InChIKeySUSRVNDUAOFEGV-UHFFFAOYSA-N
XLogP0.25
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3-hydroxy-2-pyridin-2-ylpropyl) acetate
CID 22101011
2-(3-hydroxy-2-pyridin-2-ylpropoxy)phenol
CID 117241436
3-phenyl-2-pyridin-2-ylpropan-1-ol
CID 68653958
(2S)-2-amino-2-pyridin-2-ylethanol
CID 55278064
[pyridin-2-yl(sulfanyl)methyl] carbamate;hydrochloride
CID 3021537
(2R)-2-amino-2-pyridin-2-ylethanol;hydrochloride
CID 86306039
2-[4-(1-pyridin-2-ylethylamino)phenoxy]acetamide
CID 43711075
2-(1,3-dichloropropan-2-yl)pyridine
CID 14046520
2-(pyridin-2-yldisulfanyl)propyl carbamate
CID 141443220
2,3-dihydroxy-3-pyridin-2-ylpropanamide
CID 171867575
3-(cyclopropylamino)-2-pyridin-2-ylpropan-1-ol
CID 117241410
2-pyridin-2-ylheptanediamide
CID 66894165

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-2-pyridin-2-ylpropyl) carbamate?
The IUPAC name of (3-hydroxy-2-pyridin-2-ylpropyl) carbamate (CID 10420201) is (3-hydroxy-2-pyridin-2-ylpropyl) carbamate.
What is the SMILES notation for (3-hydroxy-2-pyridin-2-ylpropyl) carbamate?
The canonical SMILES for (3-hydroxy-2-pyridin-2-ylpropyl) carbamate is NC(=O)OCC(CO)c1ccccn1.
What is the InChIKey of (3-hydroxy-2-pyridin-2-ylpropyl) carbamate?
The InChIKey is SUSRVNDUAOFEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c10-9(13)14-6-7(5-12)8-3-1-2-4-11-8/h1-4,7,12H,5-6H2,(H2,10,13).
What are the key properties of (3-hydroxy-2-pyridin-2-ylpropyl) carbamate?
(3-hydroxy-2-pyridin-2-ylpropyl) carbamate has a molecular weight of 196.21 g/mol, XLogP of 0.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-2-pyridin-2-ylpropyl) carbamate is sourced from PubChem (CID 10420201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).