2-[2-(1-adamantyl)hydrazinyl]propanoic acid;hydrochloride

C13H23ClN2O2 — CID 70525971

IUPAC2-[2-(1-adamantyl)hydrazinyl]propanoic acid;hydrochloride
SMILESCC(NNC12CC3CC(CC(C3)C1)C2)C(=O)O.Cl
InChIInChI=1S/C13H22N2O2.ClH/c1-8(12(16)17)14-15-13-5-9-2-10(6-13)4-11(3-9)7-13;/h8-11,14-15H,2-7H2,1H3,(H,16,17);1H
InChIKeyYAIPEWFYQUGWNL-UHFFFAOYSA-N
MW274.79 g/mol
LogP1.94
Rot. Bonds4

About 2-[2-(1-adamantyl)hydrazinyl]propanoic acid;hydrochloride

2-[2-(1-adamantyl)hydrazinyl]propanoic acid;hydrochloride (PubChem CID 70525971) has the molecular formula C13H23ClN2O2 and a molecular weight of 274.79 g/mol. Its IUPAC name is 2-[2-(1-adamantyl)hydrazinyl]propanoic acid;hydrochloride.

Molecular Properties

Compound Name2-[2-(1-adamantyl)hydrazinyl]propanoic acid;hydrochloride
PubChem CID70525971
Molecular FormulaC13H23ClN2O2
Molecular Weight274.79 g/mol
Exact Mass274.14
IUPAC Name2-[2-(1-adamantyl)hydrazinyl]propanoic acid;hydrochloride
SMILESCC(NNC12CC3CC(CC(C3)C1)C2)C(=O)O.Cl
InChIInChI=1S/C13H22N2O2.ClH/c1-8(12(16)17)14-15-13-5-9-2-10(6-13)4-11(3-9)7-13;/h8-11,14-15H,2-7H2,1H3,(H,16,17);1H
InChIKeyYAIPEWFYQUGWNL-UHFFFAOYSA-N
XLogP1.94
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.79
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(1-adamantyl)ethylamino]propanoic acid
CID 54959577
4-(1-adamantylamino)-2,3-dimethyl-4-oxobutanoic acid
CID 22090292
N'-(1-adamantyl)acetohydrazide
CID 57252172
(2R)-2-(1-adamantylamino)propanamide
CID 9358538
2-[1-(1-adamantyl)ethylcarbamoylamino]propanoic acid
CID 61182192
(2S)-2-(1-adamantylsulfinylamino)propanoic acid
CID 22809939
ethyl 2-[2-(1-adamantyl)hydrazinyl]butanoate;hydrochloride
CID 70527034
(2S)-N-(1-adamantyl)-2-aminopropanamide;hydrochloride
CID 119261551
2-[(3-methyladamantane-1-carbonyl)amino]propanoic acid
CID 113402725
(2S)-2-(2-methylhydrazinyl)propanoic acid;hydrochloride
CID 135156009
2-(2-adamantylamino)propanoic acid
CID 61499688
2-[3-(1-carboxyethyl)-1-adamantyl]propanoic acid
CID 170199454

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-adamantyl)hydrazinyl]propanoic acid;hydrochloride?
The IUPAC name of 2-[2-(1-adamantyl)hydrazinyl]propanoic acid;hydrochloride (CID 70525971) is 2-[2-(1-adamantyl)hydrazinyl]propanoic acid;hydrochloride.
What is the SMILES notation for 2-[2-(1-adamantyl)hydrazinyl]propanoic acid;hydrochloride?
The canonical SMILES for 2-[2-(1-adamantyl)hydrazinyl]propanoic acid;hydrochloride is CC(NNC12CC3CC(CC(C3)C1)C2)C(=O)O.Cl.
What is the InChIKey of 2-[2-(1-adamantyl)hydrazinyl]propanoic acid;hydrochloride?
The InChIKey is YAIPEWFYQUGWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2.ClH/c1-8(12(16)17)14-15-13-5-9-2-10(6-13)4-11(3-9)7-13;/h8-11,14-15H,2-7H2,1H3,(H,16,17);1H.
What are the key properties of 2-[2-(1-adamantyl)hydrazinyl]propanoic acid;hydrochloride?
2-[2-(1-adamantyl)hydrazinyl]propanoic acid;hydrochloride has a molecular weight of 274.79 g/mol, XLogP of 1.94, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-adamantyl)hydrazinyl]propanoic acid;hydrochloride is sourced from PubChem (CID 70525971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).