2-(2-amino-2-bicyclo[4.1.0]heptanyl)acetic acid

C9H15NO2 — CID 130526238

IUPAC2-(2-amino-2-bicyclo[4.1.0]heptanyl)acetic acid
SMILESNC1(CC(=O)O)CCCC2CC21
InChIInChI=1S/C9H15NO2/c10-9(5-8(11)12)3-1-2-6-4-7(6)9/h6-7H,1-5,10H2,(H,11,12)
InChIKeyYLIRZTJSQCWXCW-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.98
Rot. Bonds2

About 2-(2-amino-2-bicyclo[4.1.0]heptanyl)acetic acid

2-(2-amino-2-bicyclo[4.1.0]heptanyl)acetic acid (PubChem CID 130526238) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 2-(2-amino-2-bicyclo[4.1.0]heptanyl)acetic acid.

Molecular Properties

Compound Name2-(2-amino-2-bicyclo[4.1.0]heptanyl)acetic acid
PubChem CID130526238
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name2-(2-amino-2-bicyclo[4.1.0]heptanyl)acetic acid
SMILESNC1(CC(=O)O)CCCC2CC21
InChIInChI=1S/C9H15NO2/c10-9(5-8(11)12)3-1-2-6-4-7(6)9/h6-7H,1-5,10H2,(H,11,12)
InChIKeyYLIRZTJSQCWXCW-UHFFFAOYSA-N
XLogP0.98
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(2-amino-2-bicyclo[4.1.0]heptanyl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R,2R,6S)-2-aminobicyclo[4.1.0]heptane-2-carboxylic acid
CID 124709963
2-[(1R,5R)-6-amino-6-bicyclo[3.2.0]heptanyl]acetic acid
CID 178190998
2-(1,2-diaminocyclohexyl)acetic acid;hydrate
CID 70410023
2-(hydroxymethyl)bicyclo[4.1.0]heptane-2-carboxylic acid
CID 167305094
2-(1-amino-2-tert-butylcyclohexyl)acetic acid
CID 64663875
(4-amino-1,2,3,3a,5,6,7,7a-octahydroinden-4-yl)methanol
CID 83905743
2-[2-(1-aminoethyl)-2-bicyclo[3.1.0]hexanyl]acetic acid
CID 130526334
2-[(1R)-1-amino-2-methylcyclopropyl]acetic acid
CID 171036084
2-[1-(carboxymethyl)-4-cyclohexylcyclohexyl]acetic acid
CID 71401425
2-[2-(ethylamino)-2-bicyclo[3.1.0]hexanyl]acetic acid
CID 83828652
2-[(1R,5S,6S)-6-(aminomethyl)-6-bicyclo[3.2.0]heptanyl]acetic acid
CID 142879958
2-[(1S,6R)-6-(aminomethyl)-6-bicyclo[3.2.0]heptanyl]acetic acid
CID 89366528

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-2-bicyclo[4.1.0]heptanyl)acetic acid?
The IUPAC name of 2-(2-amino-2-bicyclo[4.1.0]heptanyl)acetic acid (CID 130526238) is 2-(2-amino-2-bicyclo[4.1.0]heptanyl)acetic acid.
What is the SMILES notation for 2-(2-amino-2-bicyclo[4.1.0]heptanyl)acetic acid?
The canonical SMILES for 2-(2-amino-2-bicyclo[4.1.0]heptanyl)acetic acid is NC1(CC(=O)O)CCCC2CC21.
What is the InChIKey of 2-(2-amino-2-bicyclo[4.1.0]heptanyl)acetic acid?
The InChIKey is YLIRZTJSQCWXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c10-9(5-8(11)12)3-1-2-6-4-7(6)9/h6-7H,1-5,10H2,(H,11,12).
What are the key properties of 2-(2-amino-2-bicyclo[4.1.0]heptanyl)acetic acid?
2-(2-amino-2-bicyclo[4.1.0]heptanyl)acetic acid has a molecular weight of 169.22 g/mol, XLogP of 0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-2-bicyclo[4.1.0]heptanyl)acetic acid is sourced from PubChem (CID 130526238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).