2-(methoxycarbonylamino)-2-(6-methyl-3-bicyclo[3.1.0]hexanyl)acetic acid

C11H17NO4 — CID 123154455

IUPAC2-(methoxycarbonylamino)-2-(6-methyl-3-bicyclo[3.1.0]hexanyl)acetic acid
SMILESCOC(=O)NC(C(=O)O)C1CC2C(C)C2C1
InChIInChI=1S/C11H17NO4/c1-5-7-3-6(4-8(5)7)9(10(13)14)12-11(15)16-2/h5-9H,3-4H2,1-2H3,(H,12,15)(H,13,14)
InChIKeyFJPCZGYAVMEVJU-UHFFFAOYSA-N
MW227.26 g/mol
LogP1.09
Rot. Bonds3

About 2-(methoxycarbonylamino)-2-(6-methyl-3-bicyclo[3.1.0]hexanyl)acetic acid

2-(methoxycarbonylamino)-2-(6-methyl-3-bicyclo[3.1.0]hexanyl)acetic acid (PubChem CID 123154455) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is 2-(methoxycarbonylamino)-2-(6-methyl-3-bicyclo[3.1.0]hexanyl)acetic acid.

Molecular Properties

Compound Name2-(methoxycarbonylamino)-2-(6-methyl-3-bicyclo[3.1.0]hexanyl)acetic acid
PubChem CID123154455
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Name2-(methoxycarbonylamino)-2-(6-methyl-3-bicyclo[3.1.0]hexanyl)acetic acid
SMILESCOC(=O)NC(C(=O)O)C1CC2C(C)C2C1
InChIInChI=1S/C11H17NO4/c1-5-7-3-6(4-8(5)7)9(10(13)14)12-11(15)16-2/h5-9H,3-4H2,1-2H3,(H,12,15)(H,13,14)
InChIKeyFJPCZGYAVMEVJU-UHFFFAOYSA-N
XLogP1.09
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxycarbonylamino)-2-(6-methyl-3-bicyclo[3.1.0]hexanyl)acetic acid?
The IUPAC name of 2-(methoxycarbonylamino)-2-(6-methyl-3-bicyclo[3.1.0]hexanyl)acetic acid (CID 123154455) is 2-(methoxycarbonylamino)-2-(6-methyl-3-bicyclo[3.1.0]hexanyl)acetic acid.
What is the SMILES notation for 2-(methoxycarbonylamino)-2-(6-methyl-3-bicyclo[3.1.0]hexanyl)acetic acid?
The canonical SMILES for 2-(methoxycarbonylamino)-2-(6-methyl-3-bicyclo[3.1.0]hexanyl)acetic acid is COC(=O)NC(C(=O)O)C1CC2C(C)C2C1.
What is the InChIKey of 2-(methoxycarbonylamino)-2-(6-methyl-3-bicyclo[3.1.0]hexanyl)acetic acid?
The InChIKey is FJPCZGYAVMEVJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4/c1-5-7-3-6(4-8(5)7)9(10(13)14)12-11(15)16-2/h5-9H,3-4H2,1-2H3,(H,12,15)(H,13,14).
What are the key properties of 2-(methoxycarbonylamino)-2-(6-methyl-3-bicyclo[3.1.0]hexanyl)acetic acid?
2-(methoxycarbonylamino)-2-(6-methyl-3-bicyclo[3.1.0]hexanyl)acetic acid has a molecular weight of 227.26 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxycarbonylamino)-2-(6-methyl-3-bicyclo[3.1.0]hexanyl)acetic acid is sourced from PubChem (CID 123154455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).