2-[carboxymethyl(dimethylaminocarbamoyl)amino]acetic acid

C7H13N3O5 — CID 83018526

IUPAC2-[carboxymethyl(dimethylaminocarbamoyl)amino]acetic acid
SMILESCN(C)NC(=O)N(CC(=O)O)CC(=O)O
InChIInChI=1S/C7H13N3O5/c1-9(2)8-7(15)10(3-5(11)12)4-6(13)14/h3-4H2,1-2H3,(H,8,15)(H,11,12)(H,13,14)
InChIKeySTGYEPIXPSTOFF-UHFFFAOYSA-N
MW219.20 g/mol
LogP-1.36
Rot. Bonds5

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

2-[carboxymethyl(dimethylaminocarbamoyl)amino]acetic acid (PubChem CID 83018526) has the molecular formula C7H13N3O5 and a molecular weight of 219.20 g/mol. Its IUPAC name is 2-[carboxymethyl(dimethylaminocarbamoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl(dimethylaminocarbamoyl)amino]acetic acid
PubChem CID83018526
Molecular FormulaC7H13N3O5
Molecular Weight219.20 g/mol
Exact Mass219.09
IUPAC Name2-[carboxymethyl(dimethylaminocarbamoyl)amino]acetic acid
SMILESCN(C)NC(=O)N(CC(=O)O)CC(=O)O
InChIInChI=1S/C7H13N3O5/c1-9(2)8-7(15)10(3-5(11)12)4-6(13)14/h3-4H2,1-2H3,(H,8,15)(H,11,12)(H,13,14)
InChIKeySTGYEPIXPSTOFF-UHFFFAOYSA-N
XLogP-1.36
TPSA110.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 5-1.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 83020290
2-[carboxymethyl(3,3-dimethylbutan-2-ylcarbamoyl)amino]acetic acid
CID 104829180
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2-[carboxymethyl(2,2,2-trifluoroethylcarbamoyl)amino]acetic acid
CID 63645928
2-[bis(carboxymethyl)amino]acetic acid;N,N-dimethylmethanamine
CID 88838366
2-[acetyl(propyl)amino]acetic acid
CID 23279438
2-[carboxymethyl-[(2,4,6-trimethylphenyl)carbamoyl]amino]acetic acid
CID 63644567
2-[butylcarbamoyl(propyl)amino]acetic acid
CID 61008492
2-[carboxymethyl-[(2-methyl-2-methylsulfonylpropyl)carbamoyl]amino]acetic acid
CID 79556078
2-[but-3-yn-2-ylcarbamoyl(propyl)amino]acetic acid
CID 114418372

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl(dimethylaminocarbamoyl)amino]acetic acid?
The IUPAC name of 2-[carboxymethyl(dimethylaminocarbamoyl)amino]acetic acid (CID 83018526) is 2-[carboxymethyl(dimethylaminocarbamoyl)amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl(dimethylaminocarbamoyl)amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl(dimethylaminocarbamoyl)amino]acetic acid is CN(C)NC(=O)N(CC(=O)O)CC(=O)O.
What is the InChIKey of 2-[carboxymethyl(dimethylaminocarbamoyl)amino]acetic acid?
The InChIKey is STGYEPIXPSTOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O5/c1-9(2)8-7(15)10(3-5(11)12)4-6(13)14/h3-4H2,1-2H3,(H,8,15)(H,11,12)(H,13,14).
What are the key properties of 2-[carboxymethyl(dimethylaminocarbamoyl)amino]acetic acid?
2-[carboxymethyl(dimethylaminocarbamoyl)amino]acetic acid has a molecular weight of 219.20 g/mol, XLogP of -1.36, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl(dimethylaminocarbamoyl)amino]acetic acid is sourced from PubChem (CID 83018526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).