(5S,7R)-3-hydroxyadamantane-1-carbohydrazide

C11H18N2O2 — CID 24721604

IUPAC(5S,7R)-3-hydroxyadamantane-1-carbohydrazide
SMILESNNC(=O)C12C[C@@H]3C[C@@H](CC(O)(C3)C1)C2
InChIInChI=1S/C11H18N2O2/c12-13-9(14)10-2-7-1-8(3-10)5-11(15,4-7)6-10/h7-8,15H,1-6,12H2,(H,13,14)/t7-,8+,10?,11?
InChIKeyACBRUBTXNNBFBB-JZVMUCMXSA-N
MW210.28 g/mol
LogP0.31
Rot. Bonds1

About (5S,7R)-3-hydroxyadamantane-1-carbohydrazide

(5S,7R)-3-hydroxyadamantane-1-carbohydrazide (PubChem CID 24721604) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is (5S,7R)-3-hydroxyadamantane-1-carbohydrazide.

Molecular Properties

Compound Name(5S,7R)-3-hydroxyadamantane-1-carbohydrazide
PubChem CID24721604
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name(5S,7R)-3-hydroxyadamantane-1-carbohydrazide
SMILESNNC(=O)C12C[C@@H]3C[C@@H](CC(O)(C3)C1)C2
InChIInChI=1S/C11H18N2O2/c12-13-9(14)10-2-7-1-8(3-10)5-11(15,4-7)6-10/h7-8,15H,1-6,12H2,(H,13,14)/t7-,8+,10?,11?
InChIKeyACBRUBTXNNBFBB-JZVMUCMXSA-N
XLogP0.31
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

adamantane-1,3-dicarbohydrazide
CID 122207012
(3-amino-3-oxopropyl) 3-hydroxyadamantane-1-carboxylate
CID 18283851
(5S,7R)-N-(2,3-dihydro-1H-inden-5-yl)-3-hydroxyadamantane-1-carboxamide
CID 8920748
[2-(1-adamantylamino)-2-oxoethyl] (5R,7R)-3-hydroxyadamantane-1-carboxylate
CID 18532833
(5S,7R)-N-(5-fluoro-2-methylphenyl)-3-hydroxyadamantane-1-carboxamide
CID 2113814
(2,2-difluoro-2-sulfanylethyl) 3-hydroxyadamantane-1-carboxylate
CID 148762586
3-hydroxy-N-(4-morpholin-4-ylphenyl)adamantane-1-carboxamide
CID 4835232
3-[(E)-N-hydroxy-C-methylcarbonimidoyl]adamantan-1-ol
CID 13402898
2-amino-2-(3-hydroxy-1-adamantyl)-N,N-bis(2-hydroxyethyl)acetamide
CID 164909551
3-(3-hydroxy-1-adamantyl)adamantan-1-ol
CID 14984938
(4-tert-butylphenyl)methyl 3-hydroxyadamantane-1-carboxylate
CID 5006139
N-(3-hydroxy-1-adamantyl)acetamide
CID 2842792

Frequently Asked Questions

What is the IUPAC name of (5S,7R)-3-hydroxyadamantane-1-carbohydrazide?
The IUPAC name of (5S,7R)-3-hydroxyadamantane-1-carbohydrazide (CID 24721604) is (5S,7R)-3-hydroxyadamantane-1-carbohydrazide.
What is the SMILES notation for (5S,7R)-3-hydroxyadamantane-1-carbohydrazide?
The canonical SMILES for (5S,7R)-3-hydroxyadamantane-1-carbohydrazide is NNC(=O)C12C[C@@H]3C[C@@H](CC(O)(C3)C1)C2.
What is the InChIKey of (5S,7R)-3-hydroxyadamantane-1-carbohydrazide?
The InChIKey is ACBRUBTXNNBFBB-JZVMUCMXSA-N. The full InChI is InChI=1S/C11H18N2O2/c12-13-9(14)10-2-7-1-8(3-10)5-11(15,4-7)6-10/h7-8,15H,1-6,12H2,(H,13,14)/t7-,8+,10?,11?.
What are the key properties of (5S,7R)-3-hydroxyadamantane-1-carbohydrazide?
(5S,7R)-3-hydroxyadamantane-1-carbohydrazide has a molecular weight of 210.28 g/mol, XLogP of 0.31, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,7R)-3-hydroxyadamantane-1-carbohydrazide is sourced from PubChem (CID 24721604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).