2-[[(1R)-1-phenylethyl]amino]acetic acid

C10H13NO2 — CID 28897015

IUPAC2-[[(1R)-1-phenylethyl]amino]acetic acid
SMILESC[C@@H](NCC(=O)O)c1ccccc1
InChIInChI=1S/C10H13NO2/c1-8(11-7-10(12)13)9-5-3-2-4-6-9/h2-6,8,11H,7H2,1H3,(H,12,13)/t8-/m1/s1
InChIKeyRFEBVEWGRABHPU-MRVPVSSYSA-N
MW179.22 g/mol
LogP1.42
Rot. Bonds4

About 2-[[(1R)-1-phenylethyl]amino]acetic acid

2-[[(1R)-1-phenylethyl]amino]acetic acid (PubChem CID 28897015) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 2-[[(1R)-1-phenylethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[(1R)-1-phenylethyl]amino]acetic acid
PubChem CID28897015
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name2-[[(1R)-1-phenylethyl]amino]acetic acid
SMILESC[C@@H](NCC(=O)O)c1ccccc1
InChIInChI=1S/C10H13NO2/c1-8(11-7-10(12)13)9-5-3-2-4-6-9/h2-6,8,11H,7H2,1H3,(H,12,13)/t8-/m1/s1
InChIKeyRFEBVEWGRABHPU-MRVPVSSYSA-N
XLogP1.42
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-1-phenylethyl]amino]acetic acid?
The IUPAC name of 2-[[(1R)-1-phenylethyl]amino]acetic acid (CID 28897015) is 2-[[(1R)-1-phenylethyl]amino]acetic acid.
What is the SMILES notation for 2-[[(1R)-1-phenylethyl]amino]acetic acid?
The canonical SMILES for 2-[[(1R)-1-phenylethyl]amino]acetic acid is C[C@@H](NCC(=O)O)c1ccccc1.
What is the InChIKey of 2-[[(1R)-1-phenylethyl]amino]acetic acid?
The InChIKey is RFEBVEWGRABHPU-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-8(11-7-10(12)13)9-5-3-2-4-6-9/h2-6,8,11H,7H2,1H3,(H,12,13)/t8-/m1/s1.
What are the key properties of 2-[[(1R)-1-phenylethyl]amino]acetic acid?
2-[[(1R)-1-phenylethyl]amino]acetic acid has a molecular weight of 179.22 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-1-phenylethyl]amino]acetic acid is sourced from PubChem (CID 28897015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).