4-[bis(carboxymethyl)amino]butanoic acid

C8H13NO6 — CID 4685140

IUPAC4-[bis(carboxymethyl)amino]butanoic acid
SMILESO=C(O)CCCN(CC(=O)O)CC(=O)O
InChIInChI=1S/C8H13NO6/c10-6(11)2-1-3-9(4-7(12)13)5-8(14)15/h1-5H2,(H,10,11)(H,12,13)(H,14,15)
InChIKeyXMSHZYRAXFYVIL-UHFFFAOYSA-N
MW219.19 g/mol
LogP-0.68
Rot. Bonds8

About 4-[bis(carboxymethyl)amino]butanoic acid

4-[bis(carboxymethyl)amino]butanoic acid (PubChem CID 4685140) has the molecular formula C8H13NO6 and a molecular weight of 219.19 g/mol. Its IUPAC name is 4-[bis(carboxymethyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[bis(carboxymethyl)amino]butanoic acid
PubChem CID4685140
Molecular FormulaC8H13NO6
Molecular Weight219.19 g/mol
Exact Mass219.07
IUPAC Name4-[bis(carboxymethyl)amino]butanoic acid
SMILESO=C(O)CCCN(CC(=O)O)CC(=O)O
InChIInChI=1S/C8H13NO6/c10-6(11)2-1-3-9(4-7(12)13)5-8(14)15/h1-5H2,(H,10,11)(H,12,13)(H,14,15)
InChIKeyXMSHZYRAXFYVIL-UHFFFAOYSA-N
XLogP-0.68
TPSA115.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.19
LogP ≤ 5-0.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[bis(carboxymethyl)amino]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Butanoic acid, 4-[(carboxymethyl)amino]-
CID 10631798
N-(4-hydroxybutyl)iminodiacetic acid
CID 23422580
4-[3-Carboxypropyl(methyl)amino]butanoic acid
CID 20818054
4-[Bis(2-hydroxyethyl)amino]butanoic acid
CID 22902543
2-[Bis(carboxymethyl)amino]butanoic acid
CID 22935674
4-[Bis[2-[bis(carboxymethyl)amino]ethyl]amino]butanoic acid
CID 9960405
Bis(3-carboxypropyl)-diethylazanium
CID 11687413
(2S)-2-[bis(carboxymethyl)amino]butanoic acid
CID 18664115
2-[Carboxymethyl(ethyl)amino]butanoic acid
CID 19918936
1,1-Bis(carboxymethyl)azetidin-1-ium-2-carboxylic acid
CID 21351854
4-[Bis(carboxymethyl)amino]-4-hydroxybutanoic acid
CID 21351899
1-Butan-2-ylazetidine-2-carboxylic acid
CID 22132120

Frequently Asked Questions

What is the IUPAC name of 4-[bis(carboxymethyl)amino]butanoic acid?
The IUPAC name of 4-[bis(carboxymethyl)amino]butanoic acid (CID 4685140) is 4-[bis(carboxymethyl)amino]butanoic acid.
What is the SMILES notation for 4-[bis(carboxymethyl)amino]butanoic acid?
The canonical SMILES for 4-[bis(carboxymethyl)amino]butanoic acid is O=C(O)CCCN(CC(=O)O)CC(=O)O.
What is the InChIKey of 4-[bis(carboxymethyl)amino]butanoic acid?
The InChIKey is XMSHZYRAXFYVIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO6/c10-6(11)2-1-3-9(4-7(12)13)5-8(14)15/h1-5H2,(H,10,11)(H,12,13)(H,14,15).
What are the key properties of 4-[bis(carboxymethyl)amino]butanoic acid?
4-[bis(carboxymethyl)amino]butanoic acid has a molecular weight of 219.19 g/mol, XLogP of -0.68, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(carboxymethyl)amino]butanoic acid is sourced from PubChem (CID 4685140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).