(5S)-3-amino-8-azabicyclo[3.2.1]octane-8-carboxylic acid

C8H14N2O2 — CID 146425848

IUPAC(5S)-3-amino-8-azabicyclo[3.2.1]octane-8-carboxylic acid
SMILESNC1CC2CC[C@@H](C1)N2C(=O)O
InChIInChI=1S/C8H14N2O2/c9-5-3-6-1-2-7(4-5)10(6)8(11)12/h5-7H,1-4,9H2,(H,11,12)/t5?,6-,7?/m0/s1
InChIKeyOJBLFQUPOHFEFO-HUDPQJTASA-N
MW170.21 g/mol
LogP0.62
Rot. Bonds

About (5S)-3-amino-8-azabicyclo[3.2.1]octane-8-carboxylic acid

(5S)-3-amino-8-azabicyclo[3.2.1]octane-8-carboxylic acid (PubChem CID 146425848) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is (5S)-3-amino-8-azabicyclo[3.2.1]octane-8-carboxylic acid.

Molecular Properties

Compound Name(5S)-3-amino-8-azabicyclo[3.2.1]octane-8-carboxylic acid
PubChem CID146425848
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name(5S)-3-amino-8-azabicyclo[3.2.1]octane-8-carboxylic acid
SMILESNC1CC2CC[C@@H](C1)N2C(=O)O
InChIInChI=1S/C8H14N2O2/c9-5-3-6-1-2-7(4-5)10(6)8(11)12/h5-7H,1-4,9H2,(H,11,12)/t5?,6-,7?/m0/s1
InChIKeyOJBLFQUPOHFEFO-HUDPQJTASA-N
XLogP0.62
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,5R)-8-azabicyclo[3.2.1]octane-3,8-dicarboxylic acid
CID 155164101
1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-2,2,2-trifluoroethanone
CID 63105003
1-[(1R,5S)-3-amino-8-azabicyclo[3.2.1]octan-8-yl]-2,2-difluoroethanone
CID 130905866
1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-3-hydroxypropan-1-one
CID 130002803
1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-3-methylbutan-1-one
CID 61233677
1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one
CID 103310337
1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-2-cyclopropylpropan-1-one
CID 83149167
3-amino-N-cyclohexyl-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 61235917
1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-2-methyl-2-phenylpropan-1-one
CID 61234784
1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-2-hydroxy-2-phenylethanone
CID 61234954
3-oxa-8-azabicyclo[3.2.1]octane-8-carboxylic acid
CID 154014382
1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)nonan-1-one
CID 65427706

Frequently Asked Questions

What is the IUPAC name of (5S)-3-amino-8-azabicyclo[3.2.1]octane-8-carboxylic acid?
The IUPAC name of (5S)-3-amino-8-azabicyclo[3.2.1]octane-8-carboxylic acid (CID 146425848) is (5S)-3-amino-8-azabicyclo[3.2.1]octane-8-carboxylic acid.
What is the SMILES notation for (5S)-3-amino-8-azabicyclo[3.2.1]octane-8-carboxylic acid?
The canonical SMILES for (5S)-3-amino-8-azabicyclo[3.2.1]octane-8-carboxylic acid is NC1CC2CC[C@@H](C1)N2C(=O)O.
What is the InChIKey of (5S)-3-amino-8-azabicyclo[3.2.1]octane-8-carboxylic acid?
The InChIKey is OJBLFQUPOHFEFO-HUDPQJTASA-N. The full InChI is InChI=1S/C8H14N2O2/c9-5-3-6-1-2-7(4-5)10(6)8(11)12/h5-7H,1-4,9H2,(H,11,12)/t5?,6-,7?/m0/s1.
What are the key properties of (5S)-3-amino-8-azabicyclo[3.2.1]octane-8-carboxylic acid?
(5S)-3-amino-8-azabicyclo[3.2.1]octane-8-carboxylic acid has a molecular weight of 170.21 g/mol, XLogP of 0.62, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-amino-8-azabicyclo[3.2.1]octane-8-carboxylic acid is sourced from PubChem (CID 146425848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).