bis(2-aminoacetic acid);butanoic acid

C8H18N2O6 — CID 174823541

IUPACbis(2-aminoacetic acid);butanoic acid
SMILESCCCC(=O)O.NCC(=O)O.NCC(=O)O
InChIInChI=1S/C4H8O2.2C2H5NO2/c1-2-3-4(5)6;2*3-1-2(4)5/h2-3H2,1H3,(H,5,6);2*1,3H2,(H,4,5)
InChIKeyKHERUUZYYHAGJP-UHFFFAOYSA-N
MW238.24 g/mol
LogP-1.07
Rot. Bonds4

About bis(2-aminoacetic acid);butanoic acid

bis(2-aminoacetic acid);butanoic acid (PubChem CID 174823541) has the molecular formula C8H18N2O6 and a molecular weight of 238.24 g/mol. Its IUPAC name is bis(2-aminoacetic acid);butanoic acid.

Molecular Properties

Compound Namebis(2-aminoacetic acid);butanoic acid
PubChem CID174823541
Molecular FormulaC8H18N2O6
Molecular Weight238.24 g/mol
Exact Mass238.12
IUPAC Namebis(2-aminoacetic acid);butanoic acid
SMILESCCCC(=O)O.NCC(=O)O.NCC(=O)O
InChIInChI=1S/C4H8O2.2C2H5NO2/c1-2-3-4(5)6;2*3-1-2(4)5/h2-3H2,1H3,(H,5,6);2*1,3H2,(H,4,5)
InChIKeyKHERUUZYYHAGJP-UHFFFAOYSA-N
XLogP-1.07
TPSA163.94 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 5-1.07
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

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butanoic acid;copper
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butanoic acid;dihydrochloride
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azane;butanoic acid
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azane;butanoic acid
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CID 87208956

Frequently Asked Questions

What is the IUPAC name of bis(2-aminoacetic acid);butanoic acid?
The IUPAC name of bis(2-aminoacetic acid);butanoic acid (CID 174823541) is bis(2-aminoacetic acid);butanoic acid.
What is the SMILES notation for bis(2-aminoacetic acid);butanoic acid?
The canonical SMILES for bis(2-aminoacetic acid);butanoic acid is CCCC(=O)O.NCC(=O)O.NCC(=O)O.
What is the InChIKey of bis(2-aminoacetic acid);butanoic acid?
The InChIKey is KHERUUZYYHAGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2.2C2H5NO2/c1-2-3-4(5)6;2*3-1-2(4)5/h2-3H2,1H3,(H,5,6);2*1,3H2,(H,4,5).
What are the key properties of bis(2-aminoacetic acid);butanoic acid?
bis(2-aminoacetic acid);butanoic acid has a molecular weight of 238.24 g/mol, XLogP of -1.07, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-aminoacetic acid);butanoic acid is sourced from PubChem (CID 174823541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).