2-[carboxymethyl-[2-methoxyethyl(methyl)carbamoyl]amino]acetic acid

C9H16N2O6 — CID 63645121

IUPAC2-[carboxymethyl-[2-methoxyethyl(methyl)carbamoyl]amino]acetic acid
SMILESCOCCN(C)C(=O)N(CC(=O)O)CC(=O)O
InChIInChI=1S/C9H16N2O6/c1-10(3-4-17-2)9(16)11(5-7(12)13)6-8(14)15/h3-6H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyNVNWCNWEGVOAFC-UHFFFAOYSA-N
MW248.23 g/mol
LogP-0.84
Rot. Bonds7

About 2-[carboxymethyl-[2-methoxyethyl(methyl)carbamoyl]amino]acetic acid

2-[carboxymethyl-[2-methoxyethyl(methyl)carbamoyl]amino]acetic acid (PubChem CID 63645121) has the molecular formula C9H16N2O6 and a molecular weight of 248.23 g/mol. Its IUPAC name is 2-[carboxymethyl-[2-methoxyethyl(methyl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl-[2-methoxyethyl(methyl)carbamoyl]amino]acetic acid
PubChem CID63645121
Molecular FormulaC9H16N2O6
Molecular Weight248.23 g/mol
Exact Mass248.10
IUPAC Name2-[carboxymethyl-[2-methoxyethyl(methyl)carbamoyl]amino]acetic acid
SMILESCOCCN(C)C(=O)N(CC(=O)O)CC(=O)O
InChIInChI=1S/C9H16N2O6/c1-10(3-4-17-2)9(16)11(5-7(12)13)6-8(14)15/h3-6H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyNVNWCNWEGVOAFC-UHFFFAOYSA-N
XLogP-0.84
TPSA107.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.23
LogP ≤ 5-0.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[carboxymethyl-[2-ethoxyethyl(methyl)carbamoyl]amino]acetic acid
CID 81057647
2-[bis(2-methoxyethyl)carbamoyl-(2-methoxyethyl)amino]acetic acid
CID 79272631
2-[butan-2-yl-[2-methoxyethyl(methyl)carbamoyl]amino]acetic acid
CID 61428242
2-[carboxymethyl-[cyclopropyl(2-methoxyethyl)carbamoyl]amino]acetic acid
CID 63645629
2-[[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]-(2-methoxyethyl)amino]acetic acid
CID 105419766
3-[2-methoxyethyl(methyl)amino]-3-oxopropanoic acid
CID 62230101
2-[[ethyl(propyl)carbamoyl]-(2-methoxyethyl)amino]acetic acid
CID 79272261
2-[[5-(dimethylamino)-5-oxopentanoyl]-(2-methoxyethyl)amino]acetic acid
CID 119189683
2-[[(4-hydroxyoxan-4-yl)methyl-methylcarbamoyl]-(2-methoxyethyl)amino]acetic acid
CID 114950961
2-[2-methoxyethyl-[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]amino]acetic acid
CID 79271648
2-[(2-amino-2-oxoethyl)-[(4-methoxy-4-oxobutyl)-methylcarbamoyl]amino]acetic acid
CID 107438458
2-[2-(dimethylcarbamoylamino)ethylcarbamoyl-(2-methoxyethyl)amino]acetic acid
CID 83113976

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl-[2-methoxyethyl(methyl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[carboxymethyl-[2-methoxyethyl(methyl)carbamoyl]amino]acetic acid (CID 63645121) is 2-[carboxymethyl-[2-methoxyethyl(methyl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl-[2-methoxyethyl(methyl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl-[2-methoxyethyl(methyl)carbamoyl]amino]acetic acid is COCCN(C)C(=O)N(CC(=O)O)CC(=O)O.
What is the InChIKey of 2-[carboxymethyl-[2-methoxyethyl(methyl)carbamoyl]amino]acetic acid?
The InChIKey is NVNWCNWEGVOAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O6/c1-10(3-4-17-2)9(16)11(5-7(12)13)6-8(14)15/h3-6H2,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 2-[carboxymethyl-[2-methoxyethyl(methyl)carbamoyl]amino]acetic acid?
2-[carboxymethyl-[2-methoxyethyl(methyl)carbamoyl]amino]acetic acid has a molecular weight of 248.23 g/mol, XLogP of -0.84, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl-[2-methoxyethyl(methyl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 63645121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).