(1R,2R,6S)-2-aminobicyclo[4.1.0]heptane-2-carboxylic acid

C8H13NO2 — CID 124709963

IUPAC(1R,2R,6S)-2-aminobicyclo[4.1.0]heptane-2-carboxylic acid
SMILESN[C@]1(C(=O)O)CCC[C@H]2C[C@H]21
InChIInChI=1S/C8H13NO2/c9-8(7(10)11)3-1-2-5-4-6(5)8/h5-6H,1-4,9H2,(H,10,11)/t5-,6+,8+/m0/s1
InChIKeyQNXAZDGQFJIRLB-SHYZEUOFSA-N
MW155.20 g/mol
LogP0.59
Rot. Bonds1

About (1R,2R,6S)-2-aminobicyclo[4.1.0]heptane-2-carboxylic acid

(1R,2R,6S)-2-aminobicyclo[4.1.0]heptane-2-carboxylic acid (PubChem CID 124709963) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is (1R,2R,6S)-2-aminobicyclo[4.1.0]heptane-2-carboxylic acid.

Molecular Properties

Compound Name(1R,2R,6S)-2-aminobicyclo[4.1.0]heptane-2-carboxylic acid
PubChem CID124709963
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name(1R,2R,6S)-2-aminobicyclo[4.1.0]heptane-2-carboxylic acid
SMILESN[C@]1(C(=O)O)CCC[C@H]2C[C@H]21
InChIInChI=1S/C8H13NO2/c9-8(7(10)11)3-1-2-5-4-6(5)8/h5-6H,1-4,9H2,(H,10,11)/t5-,6+,8+/m0/s1
InChIKeyQNXAZDGQFJIRLB-SHYZEUOFSA-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

(3aS,4R,7aR)-4-amino-1,2,3,3a,5,6,7,7a-octahydroisoindole-4-carboxylic acid
CID 124709806
2-(2-amino-2-bicyclo[4.1.0]heptanyl)acetic acid
CID 130526238
2-(hydroxymethyl)bicyclo[4.1.0]heptane-2-carboxylic acid
CID 167305094
1-aminocyclopentane-1,2-dicarboxylic acid;azane
CID 54610731
(1S)-1-amino-2-hydroxycyclohexane-1-carboxylic acid
CID 15813568
(1R,2R,6S,7R,8S)-8-aminotricyclo[5.2.1.02,6]decane-8-carboxylic acid
CID 98107604
cis-(1R,2R)-1-amino-2-methoxycyclopentane-1-carboxylic acid
CID 102073305
spiro[bicyclo[4.1.0]heptane-2,1'-cyclopentane]
CID 140625385
2-amino-N-[[1-(5-bromothiophen-2-yl)cyclobutyl]methyl]bicyclo[4.1.0]heptane-2-carboxamide
CID 166384703
(1R,2S,5S,6S)-2-aminobicyclo[3.1.0]hexane-2,6-dicarboxylic acid
CID 102066259
(1R,2S,6R)-2-methylbicyclo[4.1.0]heptan-2-ol
CID 98172819
2-amino-1,3,3a,4,5,6,7,7a-octahydroindene-2-carboxylic acid
CID 83906747

Frequently Asked Questions

What is the IUPAC name of (1R,2R,6S)-2-aminobicyclo[4.1.0]heptane-2-carboxylic acid?
The IUPAC name of (1R,2R,6S)-2-aminobicyclo[4.1.0]heptane-2-carboxylic acid (CID 124709963) is (1R,2R,6S)-2-aminobicyclo[4.1.0]heptane-2-carboxylic acid.
What is the SMILES notation for (1R,2R,6S)-2-aminobicyclo[4.1.0]heptane-2-carboxylic acid?
The canonical SMILES for (1R,2R,6S)-2-aminobicyclo[4.1.0]heptane-2-carboxylic acid is N[C@]1(C(=O)O)CCC[C@H]2C[C@H]21.
What is the InChIKey of (1R,2R,6S)-2-aminobicyclo[4.1.0]heptane-2-carboxylic acid?
The InChIKey is QNXAZDGQFJIRLB-SHYZEUOFSA-N. The full InChI is InChI=1S/C8H13NO2/c9-8(7(10)11)3-1-2-5-4-6(5)8/h5-6H,1-4,9H2,(H,10,11)/t5-,6+,8+/m0/s1.
What are the key properties of (1R,2R,6S)-2-aminobicyclo[4.1.0]heptane-2-carboxylic acid?
(1R,2R,6S)-2-aminobicyclo[4.1.0]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 (1R,2R,6S)-2-aminobicyclo[4.1.0]heptane-2-carboxylic acid is sourced from PubChem (CID 124709963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).