5-[[butyl(2-carboxyethyl)amino]methyl]furan-2-carboxylic acid

C13H19NO5 — CID 82330538

IUPAC5-[[butyl(2-carboxyethyl)amino]methyl]furan-2-carboxylic acid
SMILESCCCCN(CCC(=O)O)Cc1ccc(C(=O)O)o1
InChIInChI=1S/C13H19NO5/c1-2-3-7-14(8-6-12(15)16)9-10-4-5-11(19-10)13(17)18/h4-5H,2-3,6-9H2,1H3,(H,15,16)(H,17,18)
InChIKeyFZJKWJJRWAQQAO-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.05
Rot. Bonds9

About 5-[[butyl(2-carboxyethyl)amino]methyl]furan-2-carboxylic acid

5-[[butyl(2-carboxyethyl)amino]methyl]furan-2-carboxylic acid (PubChem CID 82330538) has the molecular formula C13H19NO5 and a molecular weight of 269.30 g/mol. Its IUPAC name is 5-[[butyl(2-carboxyethyl)amino]methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[[butyl(2-carboxyethyl)amino]methyl]furan-2-carboxylic acid
PubChem CID82330538
Molecular FormulaC13H19NO5
Molecular Weight269.30 g/mol
Exact Mass269.13
IUPAC Name5-[[butyl(2-carboxyethyl)amino]methyl]furan-2-carboxylic acid
SMILESCCCCN(CCC(=O)O)Cc1ccc(C(=O)O)o1
InChIInChI=1S/C13H19NO5/c1-2-3-7-14(8-6-12(15)16)9-10-4-5-11(19-10)13(17)18/h4-5H,2-3,6-9H2,1H3,(H,15,16)(H,17,18)
InChIKeyFZJKWJJRWAQQAO-UHFFFAOYSA-N
XLogP2.05
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[3-(dimethylamino)propyl-ethylamino]methyl]furan-2-carboxylic acid
CID 102994678
3-[butyl-[(4-fluorophenyl)methyl]amino]propanoic acid
CID 82328171
1-[5-[[benzyl(butyl)amino]methyl]furan-2-yl]ethanone
CID 162741048
1-[5-[(dibutylamino)methyl]furan-2-yl]-2-ethoxyprop-2-en-1-one;ethane
CID 162740794
1-benzyl-3-[[5-[(dibutylamino)methyl]furan-2-carbonyl]amino]thiourea
CID 46373892
5-pentadecylfuran-2-carboxylic acid
CID 177129672
5-hexylfuran-2-carboxylic acid
CID 86015959
3-[heptyl(pyridin-4-ylmethyl)amino]propanoic acid
CID 82328776
4-[[3-carboxypropyl(propyl)amino]methyl]benzoic acid
CID 59265022
5-[butyl(ethyl)amino]furan-2-carboxylic acid
CID 62205838
5-[1-(dibutylamino)ethyl]furan-2-carboxylic acid
CID 22686704
5-[[bis(2-methoxyethyl)amino]methyl]furan-2-carbohydrazide
CID 63578022

Frequently Asked Questions

What is the IUPAC name of 5-[[butyl(2-carboxyethyl)amino]methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[[butyl(2-carboxyethyl)amino]methyl]furan-2-carboxylic acid (CID 82330538) is 5-[[butyl(2-carboxyethyl)amino]methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[[butyl(2-carboxyethyl)amino]methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[[butyl(2-carboxyethyl)amino]methyl]furan-2-carboxylic acid is CCCCN(CCC(=O)O)Cc1ccc(C(=O)O)o1.
What is the InChIKey of 5-[[butyl(2-carboxyethyl)amino]methyl]furan-2-carboxylic acid?
The InChIKey is FZJKWJJRWAQQAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO5/c1-2-3-7-14(8-6-12(15)16)9-10-4-5-11(19-10)13(17)18/h4-5H,2-3,6-9H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 5-[[butyl(2-carboxyethyl)amino]methyl]furan-2-carboxylic acid?
5-[[butyl(2-carboxyethyl)amino]methyl]furan-2-carboxylic acid has a molecular weight of 269.30 g/mol, XLogP of 2.05, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[butyl(2-carboxyethyl)amino]methyl]furan-2-carboxylic acid is sourced from PubChem (CID 82330538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).