2-[[(2R)-1-[(4-hydroxyphenyl)methylamino]-3-methoxy-1-oxopropan-2-yl]amino]acetic acid

C13H18N2O5 — CID 131770049

IUPAC2-[[(2R)-1-[(4-hydroxyphenyl)methylamino]-3-methoxy-1-oxopropan-2-yl]amino]acetic acid
SMILESCOC[C@@H](NCC(=O)O)C(=O)NCc1ccc(O)cc1
InChIInChI=1S/C13H18N2O5/c1-20-8-11(14-7-12(17)18)13(19)15-6-9-2-4-10(16)5-3-9/h2-5,11,14,16H,6-8H2,1H3,(H,15,19)(H,17,18)/t11-/m1/s1
InChIKeyRBFMZJMSICTYCA-LLVKDONJSA-N
MW282.30 g/mol
LogP-0.30
Rot. Bonds8

About 2-[[(2R)-1-[(4-hydroxyphenyl)methylamino]-3-methoxy-1-oxopropan-2-yl]amino]acetic acid

2-[[(2R)-1-[(4-hydroxyphenyl)methylamino]-3-methoxy-1-oxopropan-2-yl]amino]acetic acid (PubChem CID 131770049) has the molecular formula C13H18N2O5 and a molecular weight of 282.30 g/mol. Its IUPAC name is 2-[[(2R)-1-[(4-hydroxyphenyl)methylamino]-3-methoxy-1-oxopropan-2-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[[(2R)-1-[(4-hydroxyphenyl)methylamino]-3-methoxy-1-oxopropan-2-yl]amino]acetic acid
PubChem CID131770049
Molecular FormulaC13H18N2O5
Molecular Weight282.30 g/mol
Exact Mass282.12
IUPAC Name2-[[(2R)-1-[(4-hydroxyphenyl)methylamino]-3-methoxy-1-oxopropan-2-yl]amino]acetic acid
SMILESCOC[C@@H](NCC(=O)O)C(=O)NCc1ccc(O)cc1
InChIInChI=1S/C13H18N2O5/c1-20-8-11(14-7-12(17)18)13(19)15-6-9-2-4-10(16)5-3-9/h2-5,11,14,16H,6-8H2,1H3,(H,15,19)(H,17,18)/t11-/m1/s1
InChIKeyRBFMZJMSICTYCA-LLVKDONJSA-N
XLogP-0.30
TPSA107.89 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 5-0.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 2-[[(2R)-1-[(4-hydroxyphenyl)methylamino]-3-methoxy-1-oxopropan-2-yl]amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-1-[(4-hydroxyphenyl)methylamino]-3-methoxy-1-oxopropan-2-yl]amino]acetic acid?
The IUPAC name of 2-[[(2R)-1-[(4-hydroxyphenyl)methylamino]-3-methoxy-1-oxopropan-2-yl]amino]acetic acid (CID 131770049) is 2-[[(2R)-1-[(4-hydroxyphenyl)methylamino]-3-methoxy-1-oxopropan-2-yl]amino]acetic acid.
What is the SMILES notation for 2-[[(2R)-1-[(4-hydroxyphenyl)methylamino]-3-methoxy-1-oxopropan-2-yl]amino]acetic acid?
The canonical SMILES for 2-[[(2R)-1-[(4-hydroxyphenyl)methylamino]-3-methoxy-1-oxopropan-2-yl]amino]acetic acid is COC[C@@H](NCC(=O)O)C(=O)NCc1ccc(O)cc1.
What is the InChIKey of 2-[[(2R)-1-[(4-hydroxyphenyl)methylamino]-3-methoxy-1-oxopropan-2-yl]amino]acetic acid?
The InChIKey is RBFMZJMSICTYCA-LLVKDONJSA-N. The full InChI is InChI=1S/C13H18N2O5/c1-20-8-11(14-7-12(17)18)13(19)15-6-9-2-4-10(16)5-3-9/h2-5,11,14,16H,6-8H2,1H3,(H,15,19)(H,17,18)/t11-/m1/s1.
What are the key properties of 2-[[(2R)-1-[(4-hydroxyphenyl)methylamino]-3-methoxy-1-oxopropan-2-yl]amino]acetic acid?
2-[[(2R)-1-[(4-hydroxyphenyl)methylamino]-3-methoxy-1-oxopropan-2-yl]amino]acetic acid has a molecular weight of 282.30 g/mol, XLogP of -0.30, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-1-[(4-hydroxyphenyl)methylamino]-3-methoxy-1-oxopropan-2-yl]amino]acetic acid is sourced from PubChem (CID 131770049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).