(2-hydroxy-2-pyridin-3-ylethyl)carbamic acid

C8H10N2O3 — CID 21105805

IUPAC(2-hydroxy-2-pyridin-3-ylethyl)carbamic acid
SMILESO=C(O)NCC(O)c1cccnc1
InChIInChI=1S/C8H10N2O3/c11-7(5-10-8(12)13)6-2-1-3-9-4-6/h1-4,7,10-11H,5H2,(H,12,13)
InChIKeyAKOKUAPEGZXFDO-UHFFFAOYSA-N
MW182.18 g/mol
LogP0.38
Rot. Bonds3

About (2-hydroxy-2-pyridin-3-ylethyl)carbamic acid

(2-hydroxy-2-pyridin-3-ylethyl)carbamic acid (PubChem CID 21105805) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is (2-hydroxy-2-pyridin-3-ylethyl)carbamic acid.

Molecular Properties

Compound Name(2-hydroxy-2-pyridin-3-ylethyl)carbamic acid
PubChem CID21105805
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name(2-hydroxy-2-pyridin-3-ylethyl)carbamic acid
SMILESO=C(O)NCC(O)c1cccnc1
InChIInChI=1S/C8H10N2O3/c11-7(5-10-8(12)13)6-2-1-3-9-4-6/h1-4,7,10-11H,5H2,(H,12,13)
InChIKeyAKOKUAPEGZXFDO-UHFFFAOYSA-N
XLogP0.38
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-hydroxy-2-pyridin-3-ylethyl)-3-phenylurea
CID 23996231
(1S)-2-(methylamino)-1-pyridin-3-ylethanol
CID 10171254
(1R)-2-phenyl-1-pyridin-3-ylethanol
CID 93312258
2-(2-phenylethylamino)-1-pyridin-3-ylethanol
CID 20826867
1-[(S)-cyclopentyl(phenyl)methyl]-3-[(2R)-2-hydroxy-2-pyridin-3-ylethyl]urea
CID 97237571
2-(2-methylanilino)-1-pyridin-3-ylethanol
CID 82040364
3-(3-fluorophenyl)-N-(2-hydroxy-2-pyridin-3-ylethyl)benzamide
CID 50965140
[2-hydroxy-2-(3-hydroxyphenyl)ethyl]carbamic acid
CID 70112963
1-phenyl-2-(1-pyridin-3-ylethylamino)ethanol
CID 43499221
3-[(2-hydroxy-2-pyridin-3-ylethyl)-methylamino]propanoic acid
CID 82216497
N-(2-hydroxy-2-pyridin-3-ylethyl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
CID 141293247
2,2-dipyridin-3-ylethanol
CID 57450821

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-2-pyridin-3-ylethyl)carbamic acid?
The IUPAC name of (2-hydroxy-2-pyridin-3-ylethyl)carbamic acid (CID 21105805) is (2-hydroxy-2-pyridin-3-ylethyl)carbamic acid.
What is the SMILES notation for (2-hydroxy-2-pyridin-3-ylethyl)carbamic acid?
The canonical SMILES for (2-hydroxy-2-pyridin-3-ylethyl)carbamic acid is O=C(O)NCC(O)c1cccnc1.
What is the InChIKey of (2-hydroxy-2-pyridin-3-ylethyl)carbamic acid?
The InChIKey is AKOKUAPEGZXFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c11-7(5-10-8(12)13)6-2-1-3-9-4-6/h1-4,7,10-11H,5H2,(H,12,13).
What are the key properties of (2-hydroxy-2-pyridin-3-ylethyl)carbamic acid?
(2-hydroxy-2-pyridin-3-ylethyl)carbamic acid has a molecular weight of 182.18 g/mol, XLogP of 0.38, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-2-pyridin-3-ylethyl)carbamic acid is sourced from PubChem (CID 21105805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).