(2S)-5-(2-adamantyloxy)-2-amino-5-oxopentanoic acid

C15H23NO4 — CID 10707966

IUPAC(2S)-5-(2-adamantyloxy)-2-amino-5-oxopentanoic acid
SMILESN[C@@H](CCC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)O
InChIInChI=1S/C15H23NO4/c16-12(15(18)19)1-2-13(17)20-14-10-4-8-3-9(6-10)7-11(14)5-8/h8-12,14H,1-7,16H2,(H,18,19)/t8?,9?,10?,11?,12-,14?/m0/s1
InChIKeyHKQJJXORLBLGGI-WMJKOLINSA-N
MW281.35 g/mol
LogP1.55
Rot. Bonds5

About (2S)-5-(2-adamantyloxy)-2-amino-5-oxopentanoic acid

(2S)-5-(2-adamantyloxy)-2-amino-5-oxopentanoic acid (PubChem CID 10707966) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is (2S)-5-(2-adamantyloxy)-2-amino-5-oxopentanoic acid.

Molecular Properties

Compound Name(2S)-5-(2-adamantyloxy)-2-amino-5-oxopentanoic acid
PubChem CID10707966
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name(2S)-5-(2-adamantyloxy)-2-amino-5-oxopentanoic acid
SMILESN[C@@H](CCC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)O
InChIInChI=1S/C15H23NO4/c16-12(15(18)19)1-2-13(17)20-14-10-4-8-3-9(6-10)7-11(14)5-8/h8-12,14H,1-7,16H2,(H,18,19)/t8?,9?,10?,11?,12-,14?/m0/s1
InChIKeyHKQJJXORLBLGGI-WMJKOLINSA-N
XLogP1.55
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

bis(2-adamantyl) butanedioate
CID 91715078
(2S)-2-amino-5-dihydroxysilyloxy-5-oxopentanoic acid
CID 175519244
disodium;(2S)-2-amino-5-[(4S)-4-amino-5-[(4S)-4-amino-4-carboxybutanoyl]oxy-5-oxopentanoyl]oxy-5-oxopentanoic acid;hydride
CID 173377229
2-[2-(2-adamantyloxy)-2-oxoethyl]-2-hydroxybutanedioic acid
CID 175096212
(2S)-5-(1-adamantylamino)-2-amino-5-oxopentanoic acid
CID 122459701
(2R)-2-amino(1,2,3,4,5-13C5)pentanedioic acid
CID 121494059
2-aminopentanedioic acid
CID 611
(2S)-2-amino-5-(1-carboxyethoxy)-5-oxopentanoic acid
CID 54458839
tetrasodium;tetrakis(2-[(4S)-4-amino-4-carboxybutanoyl]oxypropanedioic acid);hydride
CID 172999198
(2R)-2-amino-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
CID 7016383
magnesium;(2S)-2-aminopentanedioic acid;hydride;hydrochloride
CID 173441751
(2S,5S)-2,5-diaminohexanedioic acid
CID 22871875

Frequently Asked Questions

What is the IUPAC name of (2S)-5-(2-adamantyloxy)-2-amino-5-oxopentanoic acid?
The IUPAC name of (2S)-5-(2-adamantyloxy)-2-amino-5-oxopentanoic acid (CID 10707966) is (2S)-5-(2-adamantyloxy)-2-amino-5-oxopentanoic acid.
What is the SMILES notation for (2S)-5-(2-adamantyloxy)-2-amino-5-oxopentanoic acid?
The canonical SMILES for (2S)-5-(2-adamantyloxy)-2-amino-5-oxopentanoic acid is N[C@@H](CCC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)O.
What is the InChIKey of (2S)-5-(2-adamantyloxy)-2-amino-5-oxopentanoic acid?
The InChIKey is HKQJJXORLBLGGI-WMJKOLINSA-N. The full InChI is InChI=1S/C15H23NO4/c16-12(15(18)19)1-2-13(17)20-14-10-4-8-3-9(6-10)7-11(14)5-8/h8-12,14H,1-7,16H2,(H,18,19)/t8?,9?,10?,11?,12-,14?/m0/s1.
What are the key properties of (2S)-5-(2-adamantyloxy)-2-amino-5-oxopentanoic acid?
(2S)-5-(2-adamantyloxy)-2-amino-5-oxopentanoic acid has a molecular weight of 281.35 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-(2-adamantyloxy)-2-amino-5-oxopentanoic acid is sourced from PubChem (CID 10707966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).