4-[carboxymethyl(hydroxy)amino]butanoic acid

C6H11NO5 — CID 87101408

IUPAC4-[carboxymethyl(hydroxy)amino]butanoic acid
SMILESO=C(O)CCCN(O)CC(=O)O
InChIInChI=1S/C6H11NO5/c8-5(9)2-1-3-7(12)4-6(10)11/h12H,1-4H2,(H,8,9)(H,10,11)
InChIKeyIMNBVXWJZNKXOQ-UHFFFAOYSA-N
MW177.16 g/mol
LogP-0.37
Rot. Bonds6

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

4-[carboxymethyl(hydroxy)amino]butanoic acid (PubChem CID 87101408) has the molecular formula C6H11NO5 and a molecular weight of 177.16 g/mol. Its IUPAC name is 4-[carboxymethyl(hydroxy)amino]butanoic acid.

Molecular Properties

Compound Name4-[carboxymethyl(hydroxy)amino]butanoic acid
PubChem CID87101408
Molecular FormulaC6H11NO5
Molecular Weight177.16 g/mol
Exact Mass177.06
IUPAC Name4-[carboxymethyl(hydroxy)amino]butanoic acid
SMILESO=C(O)CCCN(O)CC(=O)O
InChIInChI=1S/C6H11NO5/c8-5(9)2-1-3-7(12)4-6(10)11/h12H,1-4H2,(H,8,9)(H,10,11)
InChIKeyIMNBVXWJZNKXOQ-UHFFFAOYSA-N
XLogP-0.37
TPSA98.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[hydroxy(methyl)amino]butanoic acid
CID 130868262
2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;hexanedioic acid
CID 88599589
5-[bis(carboxymethyl)amino]pentanoic acid
CID 23422745
4-[bis(2-carboxyethyl)amino]butanoic acid
CID 82330594
2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;icosakis(pentanoic acid)
CID 173206314
4-(dimethylamino)butanoic acid;molecular chlorine
CID 174526336
4-[amino(oxido)amino]butanoic acid
CID 163980196
azane;hexanedioic acid
CID 14323449
azane;bis(pentanedioic acid)
CID 138524332
heptadecanedioic acid
CID 3083765
decanedioic acid;hexanedioic acid;octanedioic acid
CID 159110511
erbium;pentanedioic acid
CID 87931794

Frequently Asked Questions

What is the IUPAC name of 4-[carboxymethyl(hydroxy)amino]butanoic acid?
The IUPAC name of 4-[carboxymethyl(hydroxy)amino]butanoic acid (CID 87101408) is 4-[carboxymethyl(hydroxy)amino]butanoic acid.
What is the SMILES notation for 4-[carboxymethyl(hydroxy)amino]butanoic acid?
The canonical SMILES for 4-[carboxymethyl(hydroxy)amino]butanoic acid is O=C(O)CCCN(O)CC(=O)O.
What is the InChIKey of 4-[carboxymethyl(hydroxy)amino]butanoic acid?
The InChIKey is IMNBVXWJZNKXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO5/c8-5(9)2-1-3-7(12)4-6(10)11/h12H,1-4H2,(H,8,9)(H,10,11).
What are the key properties of 4-[carboxymethyl(hydroxy)amino]butanoic acid?
4-[carboxymethyl(hydroxy)amino]butanoic acid has a molecular weight of 177.16 g/mol, XLogP of -0.37, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[carboxymethyl(hydroxy)amino]butanoic acid is sourced from PubChem (CID 87101408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).