2-[carboxymethyl(2-hydroxyethenyl)amino]acetic acid

C6H9NO5 — CID 158618990

IUPAC2-[carboxymethyl(2-hydroxyethenyl)amino]acetic acid
SMILESO=C(O)CN(C=CO)CC(=O)O
InChIInChI=1S/C6H9NO5/c8-2-1-7(3-5(9)10)4-6(11)12/h1-2,8H,3-4H2,(H,9,10)(H,11,12)
InChIKeyAFTSMOBQOJYUPG-UHFFFAOYSA-N
MW175.14 g/mol
LogP-0.51
Rot. Bonds5

About 2-[carboxymethyl(2-hydroxyethenyl)amino]acetic acid

2-[carboxymethyl(2-hydroxyethenyl)amino]acetic acid (PubChem CID 158618990) has the molecular formula C6H9NO5 and a molecular weight of 175.14 g/mol. Its IUPAC name is 2-[carboxymethyl(2-hydroxyethenyl)amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl(2-hydroxyethenyl)amino]acetic acid
PubChem CID158618990
Molecular FormulaC6H9NO5
Molecular Weight175.14 g/mol
Exact Mass175.05
IUPAC Name2-[carboxymethyl(2-hydroxyethenyl)amino]acetic acid
SMILESO=C(O)CN(C=CO)CC(=O)O
InChIInChI=1S/C6H9NO5/c8-2-1-7(3-5(9)10)4-6(11)12/h1-2,8H,3-4H2,(H,9,10)(H,11,12)
InChIKeyAFTSMOBQOJYUPG-UHFFFAOYSA-N
XLogP-0.51
TPSA98.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.14
LogP ≤ 5-0.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

2-[[(E)-2-[[(E)-2-[bis(carboxymethyl)amino]ethenyl]-(carboxymethyl)amino]ethenyl]-(carboxymethyl)amino]acetic acid
CID 15839164
2-[carboxymethyl-[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]acetic acid
CID 2389939
2-[formyl(2-oxopropyl)amino]acetic acid
CID 121285927
2-[carboxymethyl(2,2-diphosphonoethenyl)amino]acetic acid
CID 102326025
2-[bis(carboxymethyl)amino]acetic acid
CID 22440005
bis(2-[bis(carboxymethyl)amino]acetic acid);sulfane
CID 87731380
CID 160559897
CID 160559897
CID 23617736
CID 23617736
2-[bis(carboxymethyl)amino]acetic acid;cerium
CID 88686592
azanium;2-[bis(carboxymethyl)amino]acetic acid;manganese
CID 71301305
potassium 2-[formyl(hydroxy)amino]acetic acid
CID 54611881
sodium 2-[formyl(hydroxy)amino]acetic acid
CID 23617820

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl(2-hydroxyethenyl)amino]acetic acid?
The IUPAC name of 2-[carboxymethyl(2-hydroxyethenyl)amino]acetic acid (CID 158618990) is 2-[carboxymethyl(2-hydroxyethenyl)amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl(2-hydroxyethenyl)amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl(2-hydroxyethenyl)amino]acetic acid is O=C(O)CN(C=CO)CC(=O)O.
What is the InChIKey of 2-[carboxymethyl(2-hydroxyethenyl)amino]acetic acid?
The InChIKey is AFTSMOBQOJYUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO5/c8-2-1-7(3-5(9)10)4-6(11)12/h1-2,8H,3-4H2,(H,9,10)(H,11,12).
What are the key properties of 2-[carboxymethyl(2-hydroxyethenyl)amino]acetic acid?
2-[carboxymethyl(2-hydroxyethenyl)amino]acetic acid has a molecular weight of 175.14 g/mol, XLogP of -0.51, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl(2-hydroxyethenyl)amino]acetic acid is sourced from PubChem (CID 158618990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).