2-[carboxymethyl(1,1-dihydroxyethyl)amino]acetic acid

C6H11NO6 — CID 22044432

IUPAC2-[carboxymethyl(1,1-dihydroxyethyl)amino]acetic acid
SMILESCC(O)(O)N(CC(=O)O)CC(=O)O
InChIInChI=1S/C6H11NO6/c1-6(12,13)7(2-4(8)9)3-5(10)11/h12-13H,2-3H2,1H3,(H,8,9)(H,10,11)
InChIKeySJQRPXNDEPVOQQ-UHFFFAOYSA-N
MW193.15 g/mol
LogP-1.88
Rot. Bonds5

About 2-[carboxymethyl(1,1-dihydroxyethyl)amino]acetic acid

2-[carboxymethyl(1,1-dihydroxyethyl)amino]acetic acid (PubChem CID 22044432) has the molecular formula C6H11NO6 and a molecular weight of 193.15 g/mol. Its IUPAC name is 2-[carboxymethyl(1,1-dihydroxyethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl(1,1-dihydroxyethyl)amino]acetic acid
PubChem CID22044432
Molecular FormulaC6H11NO6
Molecular Weight193.15 g/mol
Exact Mass193.06
IUPAC Name2-[carboxymethyl(1,1-dihydroxyethyl)amino]acetic acid
SMILESCC(O)(O)N(CC(=O)O)CC(=O)O
InChIInChI=1S/C6H11NO6/c1-6(12,13)7(2-4(8)9)3-5(10)11/h12-13H,2-3H2,1H3,(H,8,9)(H,10,11)
InChIKeySJQRPXNDEPVOQQ-UHFFFAOYSA-N
XLogP-1.88
TPSA118.30 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.15
LogP ≤ 5-1.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[tert-butyl(2-oxobutyl)amino]acetic acid
CID 89002120
2-[carboxymethyl-(2-hydroxy-2-methylpropyl)amino]acetic acid
CID 63646957
2-[tert-butyl-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]acetic acid
CID 79269029
2-[tert-butyl(cyclopropylmethyl)amino]acetic acid
CID 79268654
2-[tert-butyl(2-cyclopropylethyl)amino]acetic acid
CID 79268300
2-[tert-butyl-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]acetic acid
CID 79269392
2-[[6-[bis(carboxymethyl)amino]-5,6-dibutyldecan-5-yl]-(carboxymethyl)amino]acetic acid
CID 54571348
2-[tert-butyl-[2-(N-methylanilino)-2-oxoethyl]amino]acetic acid
CID 79269292
2-[tert-butyl-[2-(2-hydroxyethoxy)ethyl]amino]acetic acid
CID 79269476
2-[tert-butyl-[2-(2-methoxyethoxy)ethyl]amino]acetic acid
CID 79268852
1,1-bis(diethylamino)ethanol;butanedioic acid
CID 175360043
2-[tert-butyl-[2-oxo-2-(prop-2-ynylamino)ethyl]amino]acetic acid
CID 79269288

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl(1,1-dihydroxyethyl)amino]acetic acid?
The IUPAC name of 2-[carboxymethyl(1,1-dihydroxyethyl)amino]acetic acid (CID 22044432) is 2-[carboxymethyl(1,1-dihydroxyethyl)amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl(1,1-dihydroxyethyl)amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl(1,1-dihydroxyethyl)amino]acetic acid is CC(O)(O)N(CC(=O)O)CC(=O)O.
What is the InChIKey of 2-[carboxymethyl(1,1-dihydroxyethyl)amino]acetic acid?
The InChIKey is SJQRPXNDEPVOQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO6/c1-6(12,13)7(2-4(8)9)3-5(10)11/h12-13H,2-3H2,1H3,(H,8,9)(H,10,11).
What are the key properties of 2-[carboxymethyl(1,1-dihydroxyethyl)amino]acetic acid?
2-[carboxymethyl(1,1-dihydroxyethyl)amino]acetic acid has a molecular weight of 193.15 g/mol, XLogP of -1.88, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl(1,1-dihydroxyethyl)amino]acetic acid is sourced from PubChem (CID 22044432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).