(2S)-2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]hexanoic acid

C15H26N2O3 — CID 107146892

IUPAC(2S)-2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]hexanoic acid
SMILESCCCC[C@H](NC(=O)CC1CC2CCC(C1)N2)C(=O)O
InChIInChI=1S/C15H26N2O3/c1-2-3-4-13(15(19)20)17-14(18)9-10-7-11-5-6-12(8-10)16-11/h10-13,16H,2-9H2,1H3,(H,17,18)(H,19,20)/t10?,11?,12?,13-/m0/s1
InChIKeyPXFKYRJAQLMYCJ-SKQCGHHBSA-N
MW282.38 g/mol
LogP1.67
Rot. Bonds7

About (2S)-2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]hexanoic acid

(2S)-2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]hexanoic acid (PubChem CID 107146892) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is (2S)-2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]hexanoic acid.

Molecular Properties

Compound Name(2S)-2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]hexanoic acid
PubChem CID107146892
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name(2S)-2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]hexanoic acid
SMILESCCCC[C@H](NC(=O)CC1CC2CCC(C1)N2)C(=O)O
InChIInChI=1S/C15H26N2O3/c1-2-3-4-13(15(19)20)17-14(18)9-10-7-11-5-6-12(8-10)16-11/h10-13,16H,2-9H2,1H3,(H,17,18)(H,19,20)/t10?,11?,12?,13-/m0/s1
InChIKeyPXFKYRJAQLMYCJ-SKQCGHHBSA-N
XLogP1.67
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2S)-2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]hexanoic acid with MolForge

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Related Compounds

2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-5-methoxypentanoic acid
CID 81084212
2-[(2-cyclopropylacetyl)amino]hexanoic acid
CID 43469695
(2S)-2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-4-methylsulfanylbutanoic acid
CID 79607868
(2R)-2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-3-hydroxypropanoic acid
CID 80750585
2-[(2-cyclopentylacetyl)amino]hexanoic acid
CID 60657212
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1-methoxyhexan-2-yl)acetamide
CID 119795719
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1-methoxyhexan-2-yl)acetamide;hydrochloride
CID 119795718
2-[(2-cyclopropylacetyl)amino]pentanoic acid
CID 43630437
2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-3-methylpentanoic acid
CID 79607263
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-butan-2-ylacetamide
CID 79608095
4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]pentanoic acid
CID 79615753
2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-ethylpropanamide
CID 79607169

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]hexanoic acid?
The IUPAC name of (2S)-2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]hexanoic acid (CID 107146892) is (2S)-2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]hexanoic acid.
What is the SMILES notation for (2S)-2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]hexanoic acid?
The canonical SMILES for (2S)-2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]hexanoic acid is CCCC[C@H](NC(=O)CC1CC2CCC(C1)N2)C(=O)O.
What is the InChIKey of (2S)-2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]hexanoic acid?
The InChIKey is PXFKYRJAQLMYCJ-SKQCGHHBSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-2-3-4-13(15(19)20)17-14(18)9-10-7-11-5-6-12(8-10)16-11/h10-13,16H,2-9H2,1H3,(H,17,18)(H,19,20)/t10?,11?,12?,13-/m0/s1.
What are the key properties of (2S)-2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]hexanoic acid?
(2S)-2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]hexanoic acid has a molecular weight of 282.38 g/mol, XLogP of 1.67, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]hexanoic acid is sourced from PubChem (CID 107146892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).