(1S,6R,7S)-2-aminobicyclo[4.1.0]heptane-7-carboxylic acid

C8H13NO2 — CID 84650187

IUPAC(1S,6R,7S)-2-aminobicyclo[4.1.0]heptane-7-carboxylic acid
SMILESNC1CCC[C@H]2[C@H](C(=O)O)[C@@H]12
InChIInChI=1S/C8H13NO2/c9-5-3-1-2-4-6(5)7(4)8(10)11/h4-7H,1-3,9H2,(H,10,11)/t4-,5?,6-,7+/m1/s1
InChIKeyKELLNBGRTNULMZ-ZUMNNYEFSA-N
MW155.20 g/mol
LogP0.44
Rot. Bonds1

About (1S,6R,7S)-2-aminobicyclo[4.1.0]heptane-7-carboxylic acid

(1S,6R,7S)-2-aminobicyclo[4.1.0]heptane-7-carboxylic acid (PubChem CID 84650187) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is (1S,6R,7S)-2-aminobicyclo[4.1.0]heptane-7-carboxylic acid.

Molecular Properties

Compound Name(1S,6R,7S)-2-aminobicyclo[4.1.0]heptane-7-carboxylic acid
PubChem CID84650187
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name(1S,6R,7S)-2-aminobicyclo[4.1.0]heptane-7-carboxylic acid
SMILESNC1CCC[C@H]2[C@H](C(=O)O)[C@@H]12
InChIInChI=1S/C8H13NO2/c9-5-3-1-2-4-6(5)7(4)8(10)11/h4-7H,1-3,9H2,(H,10,11)/t4-,5?,6-,7+/m1/s1
InChIKeyKELLNBGRTNULMZ-ZUMNNYEFSA-N
XLogP0.44
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 ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2S,5S,6R)-2-aminobicyclo[3.1.0]hexane-6-carboxylic acid
CID 170915271
(1R,2S,6R,7S)-tricyclo[5.2.1.02,6]decane-10-carboxylic acid
CID 131113488
trans-(1S,2S)-2-aminocyclopentane-1-carboxylic acid;hydrochloride
CID 56971751
bis(cis-(1R,2S)-2-aminocyclopentane-1-carboxylic acid);hydrate;dihydrochloride
CID 2725066
cis-(1R,2S)-2-aminocyclohexane-1-carboxylic acid
CID 2724639
(1R,4S)-bicyclo[2.1.0]pentane-5-carboxylic acid
CID 55300069
(2S,6S)-tricyclo[4.2.1.12,5]decane-9,10-dicarboxylic acid
CID 134081589
(1S,2S,5S,6S)-tricyclo[4.2.1.12,5]decane-9,10-dicarboxylic acid
CID 98557571
acetic acid;cyclohexane-1,2-diamine
CID 67321744
bicyclo[3.2.1]octane-8-carboxylic acid
CID 69144548
oxalic acid;platinum(2+);trans-(1S,2S)-cyclohexane-1,2-diamine
CID 163285607
cyclohexane-1,2-diamine;oxalic acid;platinum(2+)
CID 6394767

Frequently Asked Questions

What is the IUPAC name of (1S,6R,7S)-2-aminobicyclo[4.1.0]heptane-7-carboxylic acid?
The IUPAC name of (1S,6R,7S)-2-aminobicyclo[4.1.0]heptane-7-carboxylic acid (CID 84650187) is (1S,6R,7S)-2-aminobicyclo[4.1.0]heptane-7-carboxylic acid.
What is the SMILES notation for (1S,6R,7S)-2-aminobicyclo[4.1.0]heptane-7-carboxylic acid?
The canonical SMILES for (1S,6R,7S)-2-aminobicyclo[4.1.0]heptane-7-carboxylic acid is NC1CCC[C@H]2[C@H](C(=O)O)[C@@H]12.
What is the InChIKey of (1S,6R,7S)-2-aminobicyclo[4.1.0]heptane-7-carboxylic acid?
The InChIKey is KELLNBGRTNULMZ-ZUMNNYEFSA-N. The full InChI is InChI=1S/C8H13NO2/c9-5-3-1-2-4-6(5)7(4)8(10)11/h4-7H,1-3,9H2,(H,10,11)/t4-,5?,6-,7+/m1/s1.
What are the key properties of (1S,6R,7S)-2-aminobicyclo[4.1.0]heptane-7-carboxylic acid?
(1S,6R,7S)-2-aminobicyclo[4.1.0]heptane-7-carboxylic acid has a molecular weight of 155.20 g/mol, XLogP of 0.44, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6R,7S)-2-aminobicyclo[4.1.0]heptane-7-carboxylic acid is sourced from PubChem (CID 84650187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).