(2R)-2-[2-(2-hydroxyphenyl)ethylamino]-2-(1-methylcyclopropyl)acetic acid

C14H19NO3 — CID 67416537

IUPAC(2R)-2-[2-(2-hydroxyphenyl)ethylamino]-2-(1-methylcyclopropyl)acetic acid
SMILESCC1([C@@H](NCCc2ccccc2O)C(=O)O)CC1
InChIInChI=1S/C14H19NO3/c1-14(7-8-14)12(13(17)18)15-9-6-10-4-2-3-5-11(10)16/h2-5,12,15-16H,6-9H2,1H3,(H,17,18)/t12-/m0/s1
InChIKeyCBAYBQHBPTXSBS-LBPRGKRZSA-N
MW249.31 g/mol
LogP1.78
Rot. Bonds6

About (2R)-2-[2-(2-hydroxyphenyl)ethylamino]-2-(1-methylcyclopropyl)acetic acid

(2R)-2-[2-(2-hydroxyphenyl)ethylamino]-2-(1-methylcyclopropyl)acetic acid (PubChem CID 67416537) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is (2R)-2-[2-(2-hydroxyphenyl)ethylamino]-2-(1-methylcyclopropyl)acetic acid.

Molecular Properties

Compound Name(2R)-2-[2-(2-hydroxyphenyl)ethylamino]-2-(1-methylcyclopropyl)acetic acid
PubChem CID67416537
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name(2R)-2-[2-(2-hydroxyphenyl)ethylamino]-2-(1-methylcyclopropyl)acetic acid
SMILESCC1([C@@H](NCCc2ccccc2O)C(=O)O)CC1
InChIInChI=1S/C14H19NO3/c1-14(7-8-14)12(13(17)18)15-9-6-10-4-2-3-5-11(10)16/h2-5,12,15-16H,6-9H2,1H3,(H,17,18)/t12-/m0/s1
InChIKeyCBAYBQHBPTXSBS-LBPRGKRZSA-N
XLogP1.78
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-(2-hydroxyphenyl)ethylamino]-2-(1-methylcyclopropyl)acetic acid?
The IUPAC name of (2R)-2-[2-(2-hydroxyphenyl)ethylamino]-2-(1-methylcyclopropyl)acetic acid (CID 67416537) is (2R)-2-[2-(2-hydroxyphenyl)ethylamino]-2-(1-methylcyclopropyl)acetic acid.
What is the SMILES notation for (2R)-2-[2-(2-hydroxyphenyl)ethylamino]-2-(1-methylcyclopropyl)acetic acid?
The canonical SMILES for (2R)-2-[2-(2-hydroxyphenyl)ethylamino]-2-(1-methylcyclopropyl)acetic acid is CC1([C@@H](NCCc2ccccc2O)C(=O)O)CC1.
What is the InChIKey of (2R)-2-[2-(2-hydroxyphenyl)ethylamino]-2-(1-methylcyclopropyl)acetic acid?
The InChIKey is CBAYBQHBPTXSBS-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H19NO3/c1-14(7-8-14)12(13(17)18)15-9-6-10-4-2-3-5-11(10)16/h2-5,12,15-16H,6-9H2,1H3,(H,17,18)/t12-/m0/s1.
What are the key properties of (2R)-2-[2-(2-hydroxyphenyl)ethylamino]-2-(1-methylcyclopropyl)acetic acid?
(2R)-2-[2-(2-hydroxyphenyl)ethylamino]-2-(1-methylcyclopropyl)acetic acid has a molecular weight of 249.31 g/mol, XLogP of 1.78, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-(2-hydroxyphenyl)ethylamino]-2-(1-methylcyclopropyl)acetic acid is sourced from PubChem (CID 67416537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).