2-[[cyano-(3-hydroxyphenyl)methyl]amino]acetic acid

C10H10N2O3 — CID 84816456

IUPAC2-[[cyano-(3-hydroxyphenyl)methyl]amino]acetic acid
SMILESN#CC(NCC(=O)O)c1cccc(O)c1
InChIInChI=1S/C10H10N2O3/c11-5-9(12-6-10(14)15)7-2-1-3-8(13)4-7/h1-4,9,12-13H,6H2,(H,14,15)
InChIKeyZELOZCAGHKOVAP-UHFFFAOYSA-N
MW206.20 g/mol
LogP0.63
Rot. Bonds4

About 2-[[cyano-(3-hydroxyphenyl)methyl]amino]acetic acid

2-[[cyano-(3-hydroxyphenyl)methyl]amino]acetic acid (PubChem CID 84816456) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is 2-[[cyano-(3-hydroxyphenyl)methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[cyano-(3-hydroxyphenyl)methyl]amino]acetic acid
PubChem CID84816456
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Name2-[[cyano-(3-hydroxyphenyl)methyl]amino]acetic acid
SMILESN#CC(NCC(=O)O)c1cccc(O)c1
InChIInChI=1S/C10H10N2O3/c11-5-9(12-6-10(14)15)7-2-1-3-8(13)4-7/h1-4,9,12-13H,6H2,(H,14,15)
InChIKeyZELOZCAGHKOVAP-UHFFFAOYSA-N
XLogP0.63
TPSA93.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[cyano-(3-hydroxyphenyl)methyl]amino]acetic acid?
The IUPAC name of 2-[[cyano-(3-hydroxyphenyl)methyl]amino]acetic acid (CID 84816456) is 2-[[cyano-(3-hydroxyphenyl)methyl]amino]acetic acid.
What is the SMILES notation for 2-[[cyano-(3-hydroxyphenyl)methyl]amino]acetic acid?
The canonical SMILES for 2-[[cyano-(3-hydroxyphenyl)methyl]amino]acetic acid is N#CC(NCC(=O)O)c1cccc(O)c1.
What is the InChIKey of 2-[[cyano-(3-hydroxyphenyl)methyl]amino]acetic acid?
The InChIKey is ZELOZCAGHKOVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c11-5-9(12-6-10(14)15)7-2-1-3-8(13)4-7/h1-4,9,12-13H,6H2,(H,14,15).
What are the key properties of 2-[[cyano-(3-hydroxyphenyl)methyl]amino]acetic acid?
2-[[cyano-(3-hydroxyphenyl)methyl]amino]acetic acid has a molecular weight of 206.20 g/mol, XLogP of 0.63, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyano-(3-hydroxyphenyl)methyl]amino]acetic acid is sourced from PubChem (CID 84816456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).