2-[carboxy(oxido)amino]acetic acid

C3H4NO5- — CID 54708744

IUPAC2-[carboxy(oxido)amino]acetic acid
SMILESO=C(O)CN([O-])C(=O)O
InChIInChI=1S/C3H4NO5/c5-2(6)1-4(9)3(7)8/h1H2,(H,5,6)(H,7,8)/q-1
InChIKeyCOHNXGXKSJZNHD-UHFFFAOYSA-N
MW134.07 g/mol
LogP-0.45
Rot. Bonds2

About 2-[carboxy(oxido)amino]acetic acid

2-[carboxy(oxido)amino]acetic acid (PubChem CID 54708744) has the molecular formula C3H4NO5- and a molecular weight of 134.07 g/mol. Its IUPAC name is 2-[carboxy(oxido)amino]acetic acid.

Molecular Properties

Compound Name2-[carboxy(oxido)amino]acetic acid
PubChem CID54708744
Molecular FormulaC3H4NO5-
Molecular Weight134.07 g/mol
Exact Mass134.01
IUPAC Name2-[carboxy(oxido)amino]acetic acid
SMILESO=C(O)CN([O-])C(=O)O
InChIInChI=1S/C3H4NO5/c5-2(6)1-4(9)3(7)8/h1H2,(H,5,6)(H,7,8)/q-1
InChIKeyCOHNXGXKSJZNHD-UHFFFAOYSA-N
XLogP-0.45
TPSA100.90 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.07
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[bis(carboxymethyl)amino]acetic acid
CID 22440005
2-[bis(carboxymethyl)amino]acetic acid;cerium
CID 88686592
CID 160559897
CID 160559897
CID 23617736
CID 23617736
bis(2-[bis(carboxymethyl)amino]acetic acid);sulfane
CID 87731380
2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;carbon dioxide
CID 90013601
azanium;2-[bis(carboxymethyl)amino]acetic acid;manganese
CID 71301305
3-[carboxymethyl(methyl)amino]propanoic acid
CID 54557646
2-[carboxymethyl(1,1-dihydroxyethyl)amino]acetic acid
CID 22044432
2-[carboxymethyl(sulfinato)amino]-1-hydroxy-1-oxoethane
CID 57115316
2-[bis(2-aminoethyl)amino]acetic acid
CID 15523358
dilithium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid
CID 10149598

Frequently Asked Questions

What is the IUPAC name of 2-[carboxy(oxido)amino]acetic acid?
The IUPAC name of 2-[carboxy(oxido)amino]acetic acid (CID 54708744) is 2-[carboxy(oxido)amino]acetic acid.
What is the SMILES notation for 2-[carboxy(oxido)amino]acetic acid?
The canonical SMILES for 2-[carboxy(oxido)amino]acetic acid is O=C(O)CN([O-])C(=O)O.
What is the InChIKey of 2-[carboxy(oxido)amino]acetic acid?
The InChIKey is COHNXGXKSJZNHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4NO5/c5-2(6)1-4(9)3(7)8/h1H2,(H,5,6)(H,7,8)/q-1.
What are the key properties of 2-[carboxy(oxido)amino]acetic acid?
2-[carboxy(oxido)amino]acetic acid has a molecular weight of 134.07 g/mol, XLogP of -0.45, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxy(oxido)amino]acetic acid is sourced from PubChem (CID 54708744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).