[3-(cyclopropylmethoxy)phenyl] 2-aminoacetate

C12H15NO3 — CID 134226868

IUPAC[3-(cyclopropylmethoxy)phenyl] 2-aminoacetate
SMILESNCC(=O)Oc1cccc(OCC2CC2)c1
InChIInChI=1S/C12H15NO3/c13-7-12(14)16-11-3-1-2-10(6-11)15-8-9-4-5-9/h1-3,6,9H,4-5,7-8,13H2
InChIKeyWDHWMSYPMDHNOT-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.34
Rot. Bonds5

About [3-(cyclopropylmethoxy)phenyl] 2-aminoacetate

[3-(cyclopropylmethoxy)phenyl] 2-aminoacetate (PubChem CID 134226868) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is [3-(cyclopropylmethoxy)phenyl] 2-aminoacetate.

Molecular Properties

Compound Name[3-(cyclopropylmethoxy)phenyl] 2-aminoacetate
PubChem CID134226868
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name[3-(cyclopropylmethoxy)phenyl] 2-aminoacetate
SMILESNCC(=O)Oc1cccc(OCC2CC2)c1
InChIInChI=1S/C12H15NO3/c13-7-12(14)16-11-3-1-2-10(6-11)15-8-9-4-5-9/h1-3,6,9H,4-5,7-8,13H2
InChIKeyWDHWMSYPMDHNOT-UHFFFAOYSA-N
XLogP1.34
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-(cyclopropylmethoxy)phenyl] 2-aminoacetate?
The IUPAC name of [3-(cyclopropylmethoxy)phenyl] 2-aminoacetate (CID 134226868) is [3-(cyclopropylmethoxy)phenyl] 2-aminoacetate.
What is the SMILES notation for [3-(cyclopropylmethoxy)phenyl] 2-aminoacetate?
The canonical SMILES for [3-(cyclopropylmethoxy)phenyl] 2-aminoacetate is NCC(=O)Oc1cccc(OCC2CC2)c1.
What is the InChIKey of [3-(cyclopropylmethoxy)phenyl] 2-aminoacetate?
The InChIKey is WDHWMSYPMDHNOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c13-7-12(14)16-11-3-1-2-10(6-11)15-8-9-4-5-9/h1-3,6,9H,4-5,7-8,13H2.
What are the key properties of [3-(cyclopropylmethoxy)phenyl] 2-aminoacetate?
[3-(cyclopropylmethoxy)phenyl] 2-aminoacetate has a molecular weight of 221.26 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(cyclopropylmethoxy)phenyl] 2-aminoacetate is sourced from PubChem (CID 134226868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).