2-[2-(1-prop-2-enylcyclopropyl)ethoxycarbonylamino]acetic acid

C11H17NO4 — CID 70231998

IUPAC2-[2-(1-prop-2-enylcyclopropyl)ethoxycarbonylamino]acetic acid
SMILESC=CCC1(CCOC(=O)NCC(=O)O)CC1
InChIInChI=1S/C11H17NO4/c1-2-3-11(4-5-11)6-7-16-10(15)12-8-9(13)14/h2H,1,3-8H2,(H,12,15)(H,13,14)
InChIKeyDOYBOZZZWJCDFR-UHFFFAOYSA-N
MW227.26 g/mol
LogP1.54
Rot. Bonds7

About 2-[2-(1-prop-2-enylcyclopropyl)ethoxycarbonylamino]acetic acid

2-[2-(1-prop-2-enylcyclopropyl)ethoxycarbonylamino]acetic acid (PubChem CID 70231998) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is 2-[2-(1-prop-2-enylcyclopropyl)ethoxycarbonylamino]acetic acid.

Molecular Properties

Compound Name2-[2-(1-prop-2-enylcyclopropyl)ethoxycarbonylamino]acetic acid
PubChem CID70231998
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Name2-[2-(1-prop-2-enylcyclopropyl)ethoxycarbonylamino]acetic acid
SMILESC=CCC1(CCOC(=O)NCC(=O)O)CC1
InChIInChI=1S/C11H17NO4/c1-2-3-11(4-5-11)6-7-16-10(15)12-8-9(13)14/h2H,1,3-8H2,(H,12,15)(H,13,14)
InChIKeyDOYBOZZZWJCDFR-UHFFFAOYSA-N
XLogP1.54
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-prop-2-enylcyclopropyl)ethoxycarbonylamino]acetic acid?
The IUPAC name of 2-[2-(1-prop-2-enylcyclopropyl)ethoxycarbonylamino]acetic acid (CID 70231998) is 2-[2-(1-prop-2-enylcyclopropyl)ethoxycarbonylamino]acetic acid.
What is the SMILES notation for 2-[2-(1-prop-2-enylcyclopropyl)ethoxycarbonylamino]acetic acid?
The canonical SMILES for 2-[2-(1-prop-2-enylcyclopropyl)ethoxycarbonylamino]acetic acid is C=CCC1(CCOC(=O)NCC(=O)O)CC1.
What is the InChIKey of 2-[2-(1-prop-2-enylcyclopropyl)ethoxycarbonylamino]acetic acid?
The InChIKey is DOYBOZZZWJCDFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4/c1-2-3-11(4-5-11)6-7-16-10(15)12-8-9(13)14/h2H,1,3-8H2,(H,12,15)(H,13,14).
What are the key properties of 2-[2-(1-prop-2-enylcyclopropyl)ethoxycarbonylamino]acetic acid?
2-[2-(1-prop-2-enylcyclopropyl)ethoxycarbonylamino]acetic acid has a molecular weight of 227.26 g/mol, XLogP of 1.54, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-prop-2-enylcyclopropyl)ethoxycarbonylamino]acetic acid is sourced from PubChem (CID 70231998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).