(2S)-2-[(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)amino]hexanoic acid

C14H24N2O4 — CID 107146118

IUPAC(2S)-2-[(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)amino]hexanoic acid
SMILESCCCC[C@H](NC(=O)N1C2CCC1CC(O)C2)C(=O)O
InChIInChI=1S/C14H24N2O4/c1-2-3-4-12(13(18)19)15-14(20)16-9-5-6-10(16)8-11(17)7-9/h9-12,17H,2-8H2,1H3,(H,15,20)(H,18,19)/t9?,10?,11?,12-/m0/s1
InChIKeyWGMYBOFTMDRXRP-ROAFRPBMSA-N
MW284.36 g/mol
LogP1.33
Rot. Bonds5

About (2S)-2-[(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)amino]hexanoic acid

(2S)-2-[(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)amino]hexanoic acid (PubChem CID 107146118) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is (2S)-2-[(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)amino]hexanoic acid.

Molecular Properties

Compound Name(2S)-2-[(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)amino]hexanoic acid
PubChem CID107146118
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name(2S)-2-[(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)amino]hexanoic acid
SMILESCCCC[C@H](NC(=O)N1C2CCC1CC(O)C2)C(=O)O
InChIInChI=1S/C14H24N2O4/c1-2-3-4-12(13(18)19)15-14(20)16-9-5-6-10(16)8-11(17)7-9/h9-12,17H,2-8H2,1H3,(H,15,20)(H,18,19)/t9?,10?,11?,12-/m0/s1
InChIKeyWGMYBOFTMDRXRP-ROAFRPBMSA-N
XLogP1.33
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2S)-2-[(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)amino]hexanoic acid with MolForge

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Related Compounds

(2S)-2-[(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)amino]-4-methylsulfanylbutanoic acid
CID 63770014
(2S)-2-[(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)amino]-4-methylpentanoic acid
CID 63768250
(2S)-2-[(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)amino]-4-methoxy-4-oxobutanoic acid
CID 63770011
5-[(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)amino]-2-methylpentanoic acid
CID 104686686
(2R)-2-[(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)amino]-3-methylbutanoic acid
CID 79010368
(2S)-2-[(4-aminopiperidine-1-carbonyl)amino]hexanoic acid
CID 107145596
(2S)-2-[(2,4-dimethylpiperidine-1-carbonyl)amino]hexanoic acid
CID 107145998
2-[(3-methoxy-4-methylpiperidine-1-carbonyl)amino]hexanoic acid
CID 102962543
2-[[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]amino]hexanoic acid
CID 66052543
(2S)-2-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]hexanoic acid
CID 107146710
(2S)-2-[(4-methoxypiperidine-1-carbonyl)amino]hexanoic acid
CID 103082201
1-[(1S,5R)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpentan-1-one
CID 134454469

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)amino]hexanoic acid?
The IUPAC name of (2S)-2-[(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)amino]hexanoic acid (CID 107146118) is (2S)-2-[(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)amino]hexanoic acid.
What is the SMILES notation for (2S)-2-[(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)amino]hexanoic acid?
The canonical SMILES for (2S)-2-[(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)amino]hexanoic acid is CCCC[C@H](NC(=O)N1C2CCC1CC(O)C2)C(=O)O.
What is the InChIKey of (2S)-2-[(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)amino]hexanoic acid?
The InChIKey is WGMYBOFTMDRXRP-ROAFRPBMSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-2-3-4-12(13(18)19)15-14(20)16-9-5-6-10(16)8-11(17)7-9/h9-12,17H,2-8H2,1H3,(H,15,20)(H,18,19)/t9?,10?,11?,12-/m0/s1.
What are the key properties of (2S)-2-[(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)amino]hexanoic acid?
(2S)-2-[(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)amino]hexanoic acid has a molecular weight of 284.36 g/mol, XLogP of 1.33, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)amino]hexanoic acid is sourced from PubChem (CID 107146118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).