(1S,2R,4S)-2-aminobicyclo[2.2.1]heptane-2-carboxylic acid

C8H13NO2 — CID 98050178

IUPAC(1S,2R,4S)-2-aminobicyclo[2.2.1]heptane-2-carboxylic acid
SMILESN[C@]1(C(=O)O)C[C@H]2CC[C@H]1C2
InChIInChI=1S/C8H13NO2/c9-8(7(10)11)4-5-1-2-6(8)3-5/h5-6H,1-4,9H2,(H,10,11)/t5-,6-,8+/m0/s1
InChIKeyMPUVBVXDFRDIPT-VMHSAVOQSA-N
MW155.20 g/mol
LogP0.59
Rot. Bonds1

About (1S,2R,4S)-2-aminobicyclo[2.2.1]heptane-2-carboxylic acid

(1S,2R,4S)-2-aminobicyclo[2.2.1]heptane-2-carboxylic acid (PubChem CID 98050178) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is (1S,2R,4S)-2-aminobicyclo[2.2.1]heptane-2-carboxylic acid.

Molecular Properties

Compound Name(1S,2R,4S)-2-aminobicyclo[2.2.1]heptane-2-carboxylic acid
PubChem CID98050178
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name(1S,2R,4S)-2-aminobicyclo[2.2.1]heptane-2-carboxylic acid
SMILESN[C@]1(C(=O)O)C[C@H]2CC[C@H]1C2
InChIInChI=1S/C8H13NO2/c9-8(7(10)11)4-5-1-2-6(8)3-5/h5-6H,1-4,9H2,(H,10,11)/t5-,6-,8+/m0/s1
InChIKeyMPUVBVXDFRDIPT-VMHSAVOQSA-N
XLogP0.59
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-aminobicyclo[2.2.1]heptane-2-carboxylic acid;hydrochloride
CID 164889497
2-aminobicyclo[2.1.1]hexane-2-carboxylic acid;carbon dioxide
CID 169432154
(1S,5S,6S)-6-amino-3-azabicyclo[3.2.1]octane-6-carboxylic acid
CID 101429275
(1R,2S,4R)-2-(carboxymethyl)bicyclo[2.2.1]heptane-2-carboxylic acid
CID 98526129
2-(2-fluoroethyl)bicyclo[2.2.1]heptane-2-carboxylic acid
CID 80695104
cis-(1R,2S)-1-amino-2-bromocyclopropane-1-carboxylic acid
CID 10329917
1-(2-hydroxy-2-bicyclo[2.2.1]heptanyl)propan-2-one
CID 130036822
(1S,2S,4R)-2-methylbicyclo[2.2.1]heptan-2-amine
CID 131148084
2-(cyclopentylmethyl)bicyclo[2.2.1]heptane-2-carboxylic acid
CID 62739545
(1R,2R,4S)-2-phenylbicyclo[2.2.1]heptane-2-carboxylic acid
CID 93484070
1-[(1S,2S,4R)-2-methyl-2-bicyclo[2.2.1]heptanyl]ethanone
CID 131122993
(1R,2S,4S)-2-methylbicyclo[2.2.1]heptan-2-amine;hydrochloride
CID 178190368

Frequently Asked Questions

What is the IUPAC name of (1S,2R,4S)-2-aminobicyclo[2.2.1]heptane-2-carboxylic acid?
The IUPAC name of (1S,2R,4S)-2-aminobicyclo[2.2.1]heptane-2-carboxylic acid (CID 98050178) is (1S,2R,4S)-2-aminobicyclo[2.2.1]heptane-2-carboxylic acid.
What is the SMILES notation for (1S,2R,4S)-2-aminobicyclo[2.2.1]heptane-2-carboxylic acid?
The canonical SMILES for (1S,2R,4S)-2-aminobicyclo[2.2.1]heptane-2-carboxylic acid is N[C@]1(C(=O)O)C[C@H]2CC[C@H]1C2.
What is the InChIKey of (1S,2R,4S)-2-aminobicyclo[2.2.1]heptane-2-carboxylic acid?
The InChIKey is MPUVBVXDFRDIPT-VMHSAVOQSA-N. The full InChI is InChI=1S/C8H13NO2/c9-8(7(10)11)4-5-1-2-6(8)3-5/h5-6H,1-4,9H2,(H,10,11)/t5-,6-,8+/m0/s1.
What are the key properties of (1S,2R,4S)-2-aminobicyclo[2.2.1]heptane-2-carboxylic acid?
(1S,2R,4S)-2-aminobicyclo[2.2.1]heptane-2-carboxylic acid has a molecular weight of 155.20 g/mol, XLogP of 0.59, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,4S)-2-aminobicyclo[2.2.1]heptane-2-carboxylic acid is sourced from PubChem (CID 98050178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).