2-[2-(1-aminoethyl)-2-bicyclo[3.1.0]hexanyl]acetic acid

C10H17NO2 — CID 130526334

IUPAC2-[2-(1-aminoethyl)-2-bicyclo[3.1.0]hexanyl]acetic acid
SMILESCC(N)C1(CC(=O)O)CCC2CC21
InChIInChI=1S/C10H17NO2/c1-6(11)10(5-9(12)13)3-2-7-4-8(7)10/h6-8H,2-5,11H2,1H3,(H,12,13)
InChIKeyOLHFGMOWWRPICX-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.22
Rot. Bonds3

About 2-[2-(1-aminoethyl)-2-bicyclo[3.1.0]hexanyl]acetic acid

2-[2-(1-aminoethyl)-2-bicyclo[3.1.0]hexanyl]acetic acid (PubChem CID 130526334) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-[2-(1-aminoethyl)-2-bicyclo[3.1.0]hexanyl]acetic acid.

Molecular Properties

Compound Name2-[2-(1-aminoethyl)-2-bicyclo[3.1.0]hexanyl]acetic acid
PubChem CID130526334
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name2-[2-(1-aminoethyl)-2-bicyclo[3.1.0]hexanyl]acetic acid
SMILESCC(N)C1(CC(=O)O)CCC2CC21
InChIInChI=1S/C10H17NO2/c1-6(11)10(5-9(12)13)3-2-7-4-8(7)10/h6-8H,2-5,11H2,1H3,(H,12,13)
InChIKeyOLHFGMOWWRPICX-UHFFFAOYSA-N
XLogP1.22
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(ethylamino)-2-bicyclo[3.1.0]hexanyl]acetic acid
CID 83828652
2-[1-(1-aminoethyl)-2,4,4-trimethylcyclopentyl]acetic acid
CID 106664392
2-(2-amino-2-bicyclo[4.1.0]heptanyl)acetic acid
CID 130526238
2-[1-(1-aminoethyl)-4-propan-2-ylcycloheptyl]acetic acid
CID 66096455
2-[1-(1-aminoethyl)-4-ethylcyclohexyl]acetic acid
CID 66096041
2-[1-(1-aminoethyl)-3,5-dimethylcyclohexyl]acetic acid
CID 66098761
2-[1-(1-aminopropyl)-2-ethylcyclohexyl]acetic acid
CID 66097102
methyl 2-[1-(1-aminoethyl)-2,4-dimethylcyclohexyl]acetate
CID 66098118
2-[2-(aminomethyl)-7-(1-fluoroethyl)-2-tricyclo[4.2.1.03,8]nonanyl]acetic acid
CID 134355854
2-(1-amino-3-propan-2-ylcyclobutyl)acetic acid
CID 103565035
2-[1-(azepan-1-yl)-4-propan-2-ylcyclohexyl]acetic acid
CID 64529282
2-[2-(aminomethyl)-6-propan-2-yl-2-tricyclo[4.3.1.03,10]decanyl]acetic acid
CID 134356016

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-aminoethyl)-2-bicyclo[3.1.0]hexanyl]acetic acid?
The IUPAC name of 2-[2-(1-aminoethyl)-2-bicyclo[3.1.0]hexanyl]acetic acid (CID 130526334) is 2-[2-(1-aminoethyl)-2-bicyclo[3.1.0]hexanyl]acetic acid.
What is the SMILES notation for 2-[2-(1-aminoethyl)-2-bicyclo[3.1.0]hexanyl]acetic acid?
The canonical SMILES for 2-[2-(1-aminoethyl)-2-bicyclo[3.1.0]hexanyl]acetic acid is CC(N)C1(CC(=O)O)CCC2CC21.
What is the InChIKey of 2-[2-(1-aminoethyl)-2-bicyclo[3.1.0]hexanyl]acetic acid?
The InChIKey is OLHFGMOWWRPICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-6(11)10(5-9(12)13)3-2-7-4-8(7)10/h6-8H,2-5,11H2,1H3,(H,12,13).
What are the key properties of 2-[2-(1-aminoethyl)-2-bicyclo[3.1.0]hexanyl]acetic acid?
2-[2-(1-aminoethyl)-2-bicyclo[3.1.0]hexanyl]acetic acid has a molecular weight of 183.25 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-aminoethyl)-2-bicyclo[3.1.0]hexanyl]acetic acid is sourced from PubChem (CID 130526334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).