2-adamantyl 3-aminopyrrolidine-1-carboxylate;hydrochloride

C15H25ClN2O2 — CID 67155573

IUPAC2-adamantyl 3-aminopyrrolidine-1-carboxylate;hydrochloride
SMILESCl.NC1CCN(C(=O)OC2C3CC4CC(C3)CC2C4)C1
InChIInChI=1S/C15H24N2O2.ClH/c16-13-1-2-17(8-13)15(18)19-14-11-4-9-3-10(6-11)7-12(14)5-9;/h9-14H,1-8,16H2;1H
InChIKeyRTZIAEXRSWAYRP-UHFFFAOYSA-N
MW300.83 g/mol
LogP2.40
Rot. Bonds1

About 2-adamantyl 3-aminopyrrolidine-1-carboxylate;hydrochloride

2-adamantyl 3-aminopyrrolidine-1-carboxylate;hydrochloride (PubChem CID 67155573) has the molecular formula C15H25ClN2O2 and a molecular weight of 300.83 g/mol. Its IUPAC name is 2-adamantyl 3-aminopyrrolidine-1-carboxylate;hydrochloride.

Molecular Properties

Compound Name2-adamantyl 3-aminopyrrolidine-1-carboxylate;hydrochloride
PubChem CID67155573
Molecular FormulaC15H25ClN2O2
Molecular Weight300.83 g/mol
Exact Mass300.16
IUPAC Name2-adamantyl 3-aminopyrrolidine-1-carboxylate;hydrochloride
SMILESCl.NC1CCN(C(=O)OC2C3CC4CC(C3)CC2C4)C1
InChIInChI=1S/C15H24N2O2.ClH/c16-13-1-2-17(8-13)15(18)19-14-11-4-9-3-10(6-11)7-12(14)5-9;/h9-14H,1-8,16H2;1H
InChIKeyRTZIAEXRSWAYRP-UHFFFAOYSA-N
XLogP2.40
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.83
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(1R,3R)-5-methoxycarbonyl-2-adamantyl] 3-aminopyrrolidine-1-carboxylate
CID 140562342
2-adamantyl (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-1-carboxylate
CID 52944645
1-[(3R)-3-aminopyrrolidin-1-yl]ethanone;dihydrochloride
CID 154577426
4-[1-(2-adamantyloxycarbonyl)piperidin-3-yl]benzoic acid
CID 58171540
ethyl 2-(3-aminopyrrolidin-1-yl)-2-oxoacetate
CID 62068517
phenyl 3-aminopyrrolidine-1-carboxylate
CID 62067214
(3S)-3-aminopyrrolidine-1-carboxamide
CID 59841091
(3R)-3-aminopyrrolidine-1-carboxylic acid
CID 15336894
2-[3-(2-adamantyloxycarbonyl)-3-azaspiro[5.5]undecan-9-yl]acetic acid
CID 25066065
[(3S)-3-aminopyrrolidin-1-yl]-cyclooctylmethanone;hydrochloride
CID 119934542
N-(1-adamantyl)-3-aminopyrrolidine-1-carboxamide;hydrochloride
CID 154904087
2-methylpropyl 3-aminopyrrolidine-1-carboxylate
CID 62067213

Frequently Asked Questions

What is the IUPAC name of 2-adamantyl 3-aminopyrrolidine-1-carboxylate;hydrochloride?
The IUPAC name of 2-adamantyl 3-aminopyrrolidine-1-carboxylate;hydrochloride (CID 67155573) is 2-adamantyl 3-aminopyrrolidine-1-carboxylate;hydrochloride.
What is the SMILES notation for 2-adamantyl 3-aminopyrrolidine-1-carboxylate;hydrochloride?
The canonical SMILES for 2-adamantyl 3-aminopyrrolidine-1-carboxylate;hydrochloride is Cl.NC1CCN(C(=O)OC2C3CC4CC(C3)CC2C4)C1.
What is the InChIKey of 2-adamantyl 3-aminopyrrolidine-1-carboxylate;hydrochloride?
The InChIKey is RTZIAEXRSWAYRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2.ClH/c16-13-1-2-17(8-13)15(18)19-14-11-4-9-3-10(6-11)7-12(14)5-9;/h9-14H,1-8,16H2;1H.
What are the key properties of 2-adamantyl 3-aminopyrrolidine-1-carboxylate;hydrochloride?
2-adamantyl 3-aminopyrrolidine-1-carboxylate;hydrochloride has a molecular weight of 300.83 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-adamantyl 3-aminopyrrolidine-1-carboxylate;hydrochloride is sourced from PubChem (CID 67155573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).