2-amino-4-[carboxymethyl(methyl)amino]butanoic acid

C7H14N2O4 — CID 14354103

IUPAC2-amino-4-[carboxymethyl(methyl)amino]butanoic acid
SMILESCN(CCC(N)C(=O)O)CC(=O)O
InChIInChI=1S/C7H14N2O4/c1-9(4-6(10)11)3-2-5(8)7(12)13/h5H,2-4,8H2,1H3,(H,10,11)(H,12,13)
InChIKeyLKAZTLRZLIHLGA-UHFFFAOYSA-N
MW190.20 g/mol
LogP-1.20
Rot. Bonds6

About 2-amino-4-[carboxymethyl(methyl)amino]butanoic acid

2-amino-4-[carboxymethyl(methyl)amino]butanoic acid (PubChem CID 14354103) has the molecular formula C7H14N2O4 and a molecular weight of 190.20 g/mol. Its IUPAC name is 2-amino-4-[carboxymethyl(methyl)amino]butanoic acid.

Molecular Properties

Compound Name2-amino-4-[carboxymethyl(methyl)amino]butanoic acid
PubChem CID14354103
Molecular FormulaC7H14N2O4
Molecular Weight190.20 g/mol
Exact Mass190.10
IUPAC Name2-amino-4-[carboxymethyl(methyl)amino]butanoic acid
SMILESCN(CCC(N)C(=O)O)CC(=O)O
InChIInChI=1S/C7H14N2O4/c1-9(4-6(10)11)3-2-5(8)7(12)13/h5H,2-4,8H2,1H3,(H,10,11)(H,12,13)
InChIKeyLKAZTLRZLIHLGA-UHFFFAOYSA-N
XLogP-1.20
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 5-1.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[carboxymethyl(methyl)amino]butanoic acid?
The IUPAC name of 2-amino-4-[carboxymethyl(methyl)amino]butanoic acid (CID 14354103) is 2-amino-4-[carboxymethyl(methyl)amino]butanoic acid.
What is the SMILES notation for 2-amino-4-[carboxymethyl(methyl)amino]butanoic acid?
The canonical SMILES for 2-amino-4-[carboxymethyl(methyl)amino]butanoic acid is CN(CCC(N)C(=O)O)CC(=O)O.
What is the InChIKey of 2-amino-4-[carboxymethyl(methyl)amino]butanoic acid?
The InChIKey is LKAZTLRZLIHLGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O4/c1-9(4-6(10)11)3-2-5(8)7(12)13/h5H,2-4,8H2,1H3,(H,10,11)(H,12,13).
What are the key properties of 2-amino-4-[carboxymethyl(methyl)amino]butanoic acid?
2-amino-4-[carboxymethyl(methyl)amino]butanoic acid has a molecular weight of 190.20 g/mol, XLogP of -1.20, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[carboxymethyl(methyl)amino]butanoic acid is sourced from PubChem (CID 14354103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).