4-[bis(2-carboxyethyl)amino]butanoic acid

C10H17NO6 — CID 82330594

IUPAC4-[bis(2-carboxyethyl)amino]butanoic acid
SMILESO=C(O)CCCN(CCC(=O)O)CCC(=O)O
InChIInChI=1S/C10H17NO6/c12-8(13)2-1-5-11(6-3-9(14)15)7-4-10(16)17/h1-7H2,(H,12,13)(H,14,15)(H,16,17)
InChIKeyYNSJSYNCXHNRED-UHFFFAOYSA-N
MW247.25 g/mol
LogP0.10
Rot. Bonds10

About 4-[bis(2-carboxyethyl)amino]butanoic acid

4-[bis(2-carboxyethyl)amino]butanoic acid (PubChem CID 82330594) has the molecular formula C10H17NO6 and a molecular weight of 247.25 g/mol. Its IUPAC name is 4-[bis(2-carboxyethyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[bis(2-carboxyethyl)amino]butanoic acid
PubChem CID82330594
Molecular FormulaC10H17NO6
Molecular Weight247.25 g/mol
Exact Mass247.11
IUPAC Name4-[bis(2-carboxyethyl)amino]butanoic acid
SMILESO=C(O)CCCN(CCC(=O)O)CCC(=O)O
InChIInChI=1S/C10H17NO6/c12-8(13)2-1-5-11(6-3-9(14)15)7-4-10(16)17/h1-7H2,(H,12,13)(H,14,15)(H,16,17)
InChIKeyYNSJSYNCXHNRED-UHFFFAOYSA-N
XLogP0.10
TPSA115.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-[2-carboxyethyl(3-carboxypropyl)amino]hexanoic acid
CID 82330595
4-[2-carboxyethyl(ethyl)amino]butanoic acid
CID 82330570
3-[2-[bis(2-carboxyethyl)amino]ethyl-(2-carboxyethyl)amino]propanoic acid;ethane
CID 145349461
6-[2-carboxyethyl(2-hydroxyethyl)amino]hexanoic acid
CID 82329589
3-[3-[3-[3-[3-[3-[3-[bis[3-[3-[bis[3-[3-[bis(2-carboxyethyl)amino]propoxy]propyl]amino]propoxy]propyl]amino]propoxy]propyl-[3-[3-[bis[3-[3-[bis(2-carboxyethyl)amino]propoxy]propyl]amino]propoxy]propyl]amino]propoxy]propyl-[3-[3-[bis(2-carboxyethyl)amino]propoxy]propyl]amino]propoxy]propyl-(2-carboxyethyl)amino]propanoic acid
CID 11309468
4-(didodecylamino)butanoic acid
CID 101313875
3-[di(pentadecyl)amino]propanoic acid
CID 101313726
3-(dioctadecylamino)propanoic acid
CID 101313756
bis(N,N-dibutylbutan-1-amine);pentanedioic acid
CID 173189158
3-[2-carboxyethyl(3-carboxypropyl)amino]-2-methylpropanoic acid
CID 82330638
3-[pentyl(propyl)amino]propanoic acid
CID 82328254
4-[2-[3-carboxypropyl(dodecyl)amino]ethyl-dodecylamino]butanoic acid
CID 156699856

Frequently Asked Questions

What is the IUPAC name of 4-[bis(2-carboxyethyl)amino]butanoic acid?
The IUPAC name of 4-[bis(2-carboxyethyl)amino]butanoic acid (CID 82330594) is 4-[bis(2-carboxyethyl)amino]butanoic acid.
What is the SMILES notation for 4-[bis(2-carboxyethyl)amino]butanoic acid?
The canonical SMILES for 4-[bis(2-carboxyethyl)amino]butanoic acid is O=C(O)CCCN(CCC(=O)O)CCC(=O)O.
What is the InChIKey of 4-[bis(2-carboxyethyl)amino]butanoic acid?
The InChIKey is YNSJSYNCXHNRED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO6/c12-8(13)2-1-5-11(6-3-9(14)15)7-4-10(16)17/h1-7H2,(H,12,13)(H,14,15)(H,16,17).
What are the key properties of 4-[bis(2-carboxyethyl)amino]butanoic acid?
4-[bis(2-carboxyethyl)amino]butanoic acid has a molecular weight of 247.25 g/mol, XLogP of 0.10, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(2-carboxyethyl)amino]butanoic acid is sourced from PubChem (CID 82330594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).