[(1R,3R)-5-methoxycarbonyl-2-adamantyl] 3-aminopyrrolidine-1-carboxylate

C17H26N2O4 — CID 140562342

IUPAC[(1R,3R)-5-methoxycarbonyl-2-adamantyl] 3-aminopyrrolidine-1-carboxylate
SMILESCOC(=O)C12CC3C[C@H](C1)C(OC(=O)N1CCC(N)C1)[C@H](C3)C2
InChIInChI=1S/C17H26N2O4/c1-22-15(20)17-6-10-4-11(7-17)14(12(5-10)8-17)23-16(21)19-3-2-13(18)9-19/h10-14H,2-9,18H2,1H3/t10?,11-,12-,13?,14?,17?/m1/s1
InChIKeyYLPFRUOOYPNXMF-ZBBHDZSUSA-N
MW322.41 g/mol
LogP1.52
Rot. Bonds2

About [(1R,3R)-5-methoxycarbonyl-2-adamantyl] 3-aminopyrrolidine-1-carboxylate

[(1R,3R)-5-methoxycarbonyl-2-adamantyl] 3-aminopyrrolidine-1-carboxylate (PubChem CID 140562342) has the molecular formula C17H26N2O4 and a molecular weight of 322.41 g/mol. Its IUPAC name is [(1R,3R)-5-methoxycarbonyl-2-adamantyl] 3-aminopyrrolidine-1-carboxylate.

Molecular Properties

Compound Name[(1R,3R)-5-methoxycarbonyl-2-adamantyl] 3-aminopyrrolidine-1-carboxylate
PubChem CID140562342
Molecular FormulaC17H26N2O4
Molecular Weight322.41 g/mol
Exact Mass322.19
IUPAC Name[(1R,3R)-5-methoxycarbonyl-2-adamantyl] 3-aminopyrrolidine-1-carboxylate
SMILESCOC(=O)C12CC3C[C@H](C1)C(OC(=O)N1CCC(N)C1)[C@H](C3)C2
InChIInChI=1S/C17H26N2O4/c1-22-15(20)17-6-10-4-11(7-17)14(12(5-10)8-17)23-16(21)19-3-2-13(18)9-19/h10-14H,2-9,18H2,1H3/t10?,11-,12-,13?,14?,17?/m1/s1
InChIKeyYLPFRUOOYPNXMF-ZBBHDZSUSA-N
XLogP1.52
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-adamantyl 3-aminopyrrolidine-1-carboxylate;hydrochloride
CID 67155573
(5-methoxycarbonyl-2-adamantyl) 3-[(3-cyano-2-pyridinyl)amino]pyrrolidine-1-carboxylate
CID 67155519
[(1R)-5-methoxycarbonyl-2-adamantyl] 3-[(3-cyano-2-pyridinyl)amino]pyrrolidine-1-carboxylate
CID 67155516
(5-methoxycarbonyl-2-adamantyl) 3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pyrrolidine-1-carboxylate
CID 67155650
[(1S)-5-carbamoyl-2-adamantyl] (3R)-3-(2-methylpropoxycarbonylamino)pyrrolidine-1-carboxylate
CID 123923589
(5-carbamoyl-2-adamantyl) 3-(2-methylpyrimidin-5-yl)pyrrolidine-1-carboxylate
CID 58171585
[(1R)-5-carbamoyl-2-adamantyl] 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolidine-1-carboxylate
CID 66884734
4-[(3R)-3-(prop-2-enylamino)pyrrolidine-1-carbonyl]oxyadamantane-1-carboxylic acid
CID 89140987
methyl (3S,6R)-tricyclo[4.3.1.13,8]undecane-1-carboxylate
CID 102239853
[(1S)-5-carbamoyl-2-adamantyl] 3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]azetidine-1-carboxylate
CID 66885230
(5-carbamoyl-2-adamantyl) (3R)-3-(3-methyl-2-oxobenzimidazol-1-yl)pyrrolidine-1-carboxylate
CID 58171584
(5-carboniodidoyl-2-adamantyl) 3-(5-methylpyrimidin-2-yl)pyrrolidine-1-carboxylate
CID 88996776

Frequently Asked Questions

What is the IUPAC name of [(1R,3R)-5-methoxycarbonyl-2-adamantyl] 3-aminopyrrolidine-1-carboxylate?
The IUPAC name of [(1R,3R)-5-methoxycarbonyl-2-adamantyl] 3-aminopyrrolidine-1-carboxylate (CID 140562342) is [(1R,3R)-5-methoxycarbonyl-2-adamantyl] 3-aminopyrrolidine-1-carboxylate.
What is the SMILES notation for [(1R,3R)-5-methoxycarbonyl-2-adamantyl] 3-aminopyrrolidine-1-carboxylate?
The canonical SMILES for [(1R,3R)-5-methoxycarbonyl-2-adamantyl] 3-aminopyrrolidine-1-carboxylate is COC(=O)C12CC3C[C@H](C1)C(OC(=O)N1CCC(N)C1)[C@H](C3)C2.
What is the InChIKey of [(1R,3R)-5-methoxycarbonyl-2-adamantyl] 3-aminopyrrolidine-1-carboxylate?
The InChIKey is YLPFRUOOYPNXMF-ZBBHDZSUSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-22-15(20)17-6-10-4-11(7-17)14(12(5-10)8-17)23-16(21)19-3-2-13(18)9-19/h10-14H,2-9,18H2,1H3/t10?,11-,12-,13?,14?,17?/m1/s1.
What are the key properties of [(1R,3R)-5-methoxycarbonyl-2-adamantyl] 3-aminopyrrolidine-1-carboxylate?
[(1R,3R)-5-methoxycarbonyl-2-adamantyl] 3-aminopyrrolidine-1-carboxylate has a molecular weight of 322.41 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3R)-5-methoxycarbonyl-2-adamantyl] 3-aminopyrrolidine-1-carboxylate is sourced from PubChem (CID 140562342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).