(2R,3S,4R)-5-(1-adamantylamino)pentane-1,2,3,4-tetrol

C15H27NO4 — CID 134815023

IUPAC(2R,3S,4R)-5-(1-adamantylamino)pentane-1,2,3,4-tetrol
SMILESOC[C@@H](O)[C@@H](O)[C@H](O)CNC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H27NO4/c17-8-13(19)14(20)12(18)7-16-15-4-9-1-10(5-15)3-11(2-9)6-15/h9-14,16-20H,1-8H2/t9?,10?,11?,12-,13-,14+,15?/m1/s1
InChIKeyWLRSGPYHQFWNQF-UWIVAKSDSA-N
MW285.38 g/mol
LogP-0.38
Rot. Bonds6

About (2R,3S,4R)-5-(1-adamantylamino)pentane-1,2,3,4-tetrol

(2R,3S,4R)-5-(1-adamantylamino)pentane-1,2,3,4-tetrol (PubChem CID 134815023) has the molecular formula C15H27NO4 and a molecular weight of 285.38 g/mol. Its IUPAC name is (2R,3S,4R)-5-(1-adamantylamino)pentane-1,2,3,4-tetrol.

Molecular Properties

Compound Name(2R,3S,4R)-5-(1-adamantylamino)pentane-1,2,3,4-tetrol
PubChem CID134815023
Molecular FormulaC15H27NO4
Molecular Weight285.38 g/mol
Exact Mass285.19
IUPAC Name(2R,3S,4R)-5-(1-adamantylamino)pentane-1,2,3,4-tetrol
SMILESOC[C@@H](O)[C@@H](O)[C@H](O)CNC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H27NO4/c17-8-13(19)14(20)12(18)7-16-15-4-9-1-10(5-15)3-11(2-9)6-15/h9-14,16-20H,1-8H2/t9?,10?,11?,12-,13-,14+,15?/m1/s1
InChIKeyWLRSGPYHQFWNQF-UWIVAKSDSA-N
XLogP-0.38
TPSA92.95 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 5-0.38
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1-adamantylamino)-2-aminopropanoic acid
CID 103231283
4-[(1R)-2-(1-adamantylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol
CID 125479583
(2S,4S)-pentane-1,2,3,4,5-pentol
CID 139064085
4-[2-[(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)amino]-1-hydroxyethyl]phenol
CID 138475667
(2S,3S)-3-(1-adamantyl)-3-aminopropane-1,2-diol
CID 139207259
(2S)-3-(1-adamantylamino)-2-fluoropropane-1-sulfonic acid
CID 58691917
1-(1-adamantylamino)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106989011
2-(1-adamantylamino)-1-(2-chlorophenyl)ethanol
CID 60903108
N-(2,3-dichloroprop-2-enyl)adamantan-1-amine
CID 79168192
(2R,4R)-pentane-1,2,3,4,5-pentol;hydrochloride
CID 158818739
pentane-1,2,3,4,5-pentol;dihydrochloride
CID 175842943
(1-bicyclo[1.1.1]pentanylamino)methanol
CID 149165180

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R)-5-(1-adamantylamino)pentane-1,2,3,4-tetrol?
The IUPAC name of (2R,3S,4R)-5-(1-adamantylamino)pentane-1,2,3,4-tetrol (CID 134815023) is (2R,3S,4R)-5-(1-adamantylamino)pentane-1,2,3,4-tetrol.
What is the SMILES notation for (2R,3S,4R)-5-(1-adamantylamino)pentane-1,2,3,4-tetrol?
The canonical SMILES for (2R,3S,4R)-5-(1-adamantylamino)pentane-1,2,3,4-tetrol is OC[C@@H](O)[C@@H](O)[C@H](O)CNC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of (2R,3S,4R)-5-(1-adamantylamino)pentane-1,2,3,4-tetrol?
The InChIKey is WLRSGPYHQFWNQF-UWIVAKSDSA-N. The full InChI is InChI=1S/C15H27NO4/c17-8-13(19)14(20)12(18)7-16-15-4-9-1-10(5-15)3-11(2-9)6-15/h9-14,16-20H,1-8H2/t9?,10?,11?,12-,13-,14+,15?/m1/s1.
What are the key properties of (2R,3S,4R)-5-(1-adamantylamino)pentane-1,2,3,4-tetrol?
(2R,3S,4R)-5-(1-adamantylamino)pentane-1,2,3,4-tetrol has a molecular weight of 285.38 g/mol, XLogP of -0.38, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R)-5-(1-adamantylamino)pentane-1,2,3,4-tetrol is sourced from PubChem (CID 134815023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).