(3-hydroxy-5-pyridin-3-ylpentan-2-yl) carbamate

C11H16N2O3 — CID 174405332

IUPAC(3-hydroxy-5-pyridin-3-ylpentan-2-yl) carbamate
SMILESCC(OC(N)=O)C(O)CCc1cccnc1
InChIInChI=1S/C11H16N2O3/c1-8(16-11(12)15)10(14)5-4-9-3-2-6-13-7-9/h2-3,6-8,10,14H,4-5H2,1H3,(H2,12,15)
InChIKeyGVJLAWNOAITCIZ-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.86
Rot. Bonds5

About (3-hydroxy-5-pyridin-3-ylpentan-2-yl) carbamate

(3-hydroxy-5-pyridin-3-ylpentan-2-yl) carbamate (PubChem CID 174405332) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is (3-hydroxy-5-pyridin-3-ylpentan-2-yl) carbamate.

Molecular Properties

Compound Name(3-hydroxy-5-pyridin-3-ylpentan-2-yl) carbamate
PubChem CID174405332
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name(3-hydroxy-5-pyridin-3-ylpentan-2-yl) carbamate
SMILESCC(OC(N)=O)C(O)CCc1cccnc1
InChIInChI=1S/C11H16N2O3/c1-8(16-11(12)15)10(14)5-4-9-3-2-6-13-7-9/h2-3,6-8,10,14H,4-5H2,1H3,(H2,12,15)
InChIKeyGVJLAWNOAITCIZ-UHFFFAOYSA-N
XLogP0.86
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3-hydroxy-5-pyridin-3-ylpentan-2-yl) carbamate;4-methyl-3-phenylbenzoic acid
CID 174405331
(4R)-4-(4-phenylphenoxy)-1-pyridin-3-ylpentan-3-ol
CID 59970467
2-methyl-4-pyridin-3-ylbutanoic acid
CID 79004008
4-(6-bromonaphthalen-2-yl)oxy-1-pyridin-3-ylpentan-3-ol
CID 18367612
4-pyridin-3-ylbutan-2-ylcarbamic acid
CID 146273639
(2S)-5-pyridin-3-ylpentan-2-ol
CID 10899042
1-methoxy-4-pyridin-3-ylbutan-2-ol
CID 21334956
(1-oxo-3-pyridin-3-ylpropan-2-yl) carbamate
CID 175424495
4-methyl-2-(2-pyridin-3-ylethyl)pentanoic acid
CID 79425331
4-[4-(3-hydroxy-5-pyridin-3-ylpentan-2-yl)oxyphenyl]-3-methylbenzoic acid
CID 18367521
N-carbamoyl-2-(2-pyridin-3-ylethylamino)propanamide
CID 60914787
N-methyl-2-(2-pyridin-3-ylethylamino)propanamide
CID 60912739

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-5-pyridin-3-ylpentan-2-yl) carbamate?
The IUPAC name of (3-hydroxy-5-pyridin-3-ylpentan-2-yl) carbamate (CID 174405332) is (3-hydroxy-5-pyridin-3-ylpentan-2-yl) carbamate.
What is the SMILES notation for (3-hydroxy-5-pyridin-3-ylpentan-2-yl) carbamate?
The canonical SMILES for (3-hydroxy-5-pyridin-3-ylpentan-2-yl) carbamate is CC(OC(N)=O)C(O)CCc1cccnc1.
What is the InChIKey of (3-hydroxy-5-pyridin-3-ylpentan-2-yl) carbamate?
The InChIKey is GVJLAWNOAITCIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-8(16-11(12)15)10(14)5-4-9-3-2-6-13-7-9/h2-3,6-8,10,14H,4-5H2,1H3,(H2,12,15).
What are the key properties of (3-hydroxy-5-pyridin-3-ylpentan-2-yl) carbamate?
(3-hydroxy-5-pyridin-3-ylpentan-2-yl) carbamate has a molecular weight of 224.26 g/mol, XLogP of 0.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-5-pyridin-3-ylpentan-2-yl) carbamate is sourced from PubChem (CID 174405332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).