2-amino-2-[2-(1-methoxycyclopropyl)phenyl]acetic acid

C12H15NO3 — CID 117115056

IUPAC2-amino-2-[2-(1-methoxycyclopropyl)phenyl]acetic acid
SMILESCOC1(c2ccccc2C(N)C(=O)O)CC1
InChIInChI=1S/C12H15NO3/c1-16-12(6-7-12)9-5-3-2-4-8(9)10(13)11(14)15/h2-5,10H,6-7,13H2,1H3,(H,14,15)
InChIKeyYOPTUKSLQRAODE-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.41
Rot. Bonds4

About 2-amino-2-[2-(1-methoxycyclopropyl)phenyl]acetic acid

2-amino-2-[2-(1-methoxycyclopropyl)phenyl]acetic acid (PubChem CID 117115056) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-amino-2-[2-(1-methoxycyclopropyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-amino-2-[2-(1-methoxycyclopropyl)phenyl]acetic acid
PubChem CID117115056
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name2-amino-2-[2-(1-methoxycyclopropyl)phenyl]acetic acid
SMILESCOC1(c2ccccc2C(N)C(=O)O)CC1
InChIInChI=1S/C12H15NO3/c1-16-12(6-7-12)9-5-3-2-4-8(9)10(13)11(14)15/h2-5,10H,6-7,13H2,1H3,(H,14,15)
InChIKeyYOPTUKSLQRAODE-UHFFFAOYSA-N
XLogP1.41
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[2-(1-methoxycyclopropyl)phenyl]acetic acid?
The IUPAC name of 2-amino-2-[2-(1-methoxycyclopropyl)phenyl]acetic acid (CID 117115056) is 2-amino-2-[2-(1-methoxycyclopropyl)phenyl]acetic acid.
What is the SMILES notation for 2-amino-2-[2-(1-methoxycyclopropyl)phenyl]acetic acid?
The canonical SMILES for 2-amino-2-[2-(1-methoxycyclopropyl)phenyl]acetic acid is COC1(c2ccccc2C(N)C(=O)O)CC1.
What is the InChIKey of 2-amino-2-[2-(1-methoxycyclopropyl)phenyl]acetic acid?
The InChIKey is YOPTUKSLQRAODE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-16-12(6-7-12)9-5-3-2-4-8(9)10(13)11(14)15/h2-5,10H,6-7,13H2,1H3,(H,14,15).
What are the key properties of 2-amino-2-[2-(1-methoxycyclopropyl)phenyl]acetic acid?
2-amino-2-[2-(1-methoxycyclopropyl)phenyl]acetic acid has a molecular weight of 221.26 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[2-(1-methoxycyclopropyl)phenyl]acetic acid is sourced from PubChem (CID 117115056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).