2-[carboxymethyl(ethyl)amino]butanoic acid

C8H15NO4 — CID 19918936

IUPAC2-[carboxymethyl(ethyl)amino]butanoic acid
SMILESCCC(C(=O)O)N(CC)CC(=O)O
InChIInChI=1S/C8H15NO4/c1-3-6(8(12)13)9(4-2)5-7(10)11/h6H,3-5H2,1-2H3,(H,10,11)(H,12,13)
InChIKeyTWGFVRZYRZUWTC-UHFFFAOYSA-N
MW189.21 g/mol
LogP0.26
Rot. Bonds6

About 2-[carboxymethyl(ethyl)amino]butanoic acid

2-[carboxymethyl(ethyl)amino]butanoic acid (PubChem CID 19918936) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is 2-[carboxymethyl(ethyl)amino]butanoic acid.

Molecular Properties

Compound Name2-[carboxymethyl(ethyl)amino]butanoic acid
PubChem CID19918936
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Name2-[carboxymethyl(ethyl)amino]butanoic acid
SMILESCCC(C(=O)O)N(CC)CC(=O)O
InChIInChI=1S/C8H15NO4/c1-3-6(8(12)13)9(4-2)5-7(10)11/h6H,3-5H2,1-2H3,(H,10,11)(H,12,13)
InChIKeyTWGFVRZYRZUWTC-UHFFFAOYSA-N
XLogP0.26
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl(ethyl)amino]butanoic acid?
The IUPAC name of 2-[carboxymethyl(ethyl)amino]butanoic acid (CID 19918936) is 2-[carboxymethyl(ethyl)amino]butanoic acid.
What is the SMILES notation for 2-[carboxymethyl(ethyl)amino]butanoic acid?
The canonical SMILES for 2-[carboxymethyl(ethyl)amino]butanoic acid is CCC(C(=O)O)N(CC)CC(=O)O.
What is the InChIKey of 2-[carboxymethyl(ethyl)amino]butanoic acid?
The InChIKey is TWGFVRZYRZUWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4/c1-3-6(8(12)13)9(4-2)5-7(10)11/h6H,3-5H2,1-2H3,(H,10,11)(H,12,13).
What are the key properties of 2-[carboxymethyl(ethyl)amino]butanoic acid?
2-[carboxymethyl(ethyl)amino]butanoic acid has a molecular weight of 189.21 g/mol, XLogP of 0.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl(ethyl)amino]butanoic acid is sourced from PubChem (CID 19918936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).