5-(1-ethoxypropan-2-ylamino)furan-2-carboxylic acid

C10H15NO4 — CID 62205149

IUPAC5-(1-ethoxypropan-2-ylamino)furan-2-carboxylic acid
SMILESCCOCC(C)Nc1ccc(C(=O)O)o1
InChIInChI=1S/C10H15NO4/c1-3-14-6-7(2)11-9-5-4-8(15-9)10(12)13/h4-5,7,11H,3,6H2,1-2H3,(H,12,13)
InChIKeyUSRZFWNSAQGHSI-UHFFFAOYSA-N
MW213.23 g/mol
LogP1.81
Rot. Bonds6

About 5-(1-ethoxypropan-2-ylamino)furan-2-carboxylic acid

5-(1-ethoxypropan-2-ylamino)furan-2-carboxylic acid (PubChem CID 62205149) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is 5-(1-ethoxypropan-2-ylamino)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(1-ethoxypropan-2-ylamino)furan-2-carboxylic acid
PubChem CID62205149
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name5-(1-ethoxypropan-2-ylamino)furan-2-carboxylic acid
SMILESCCOCC(C)Nc1ccc(C(=O)O)o1
InChIInChI=1S/C10H15NO4/c1-3-14-6-7(2)11-9-5-4-8(15-9)10(12)13/h4-5,7,11H,3,6H2,1-2H3,(H,12,13)
InChIKeyUSRZFWNSAQGHSI-UHFFFAOYSA-N
XLogP1.81
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-methylpentan-2-ylamino)furan-2-carboxylic acid
CID 62204950
5-(4-hydroxybutan-2-ylamino)furan-2-carboxylic acid
CID 83176620
5-(octan-2-ylamino)furan-2-carboxylic acid
CID 62206373
5-(6-methylheptan-2-ylamino)furan-2-carboxylic acid
CID 62205856
5-[1-(4-fluorophenyl)propan-2-ylamino]furan-2-carboxylic acid
CID 63008488
5-[[1-(methylamino)-1-oxopropan-2-yl]amino]furan-2-carboxylic acid
CID 62205327
5-[(1-hydroxy-4-methylpentan-3-yl)amino]furan-2-carboxylic acid
CID 106350355
5-bromo-N-(1-ethoxypropan-2-yl)furan-2-carboxamide
CID 47903591
5-(ethoxymethyl)furan-2-carboxylic acid
CID 4682007
5-(1-cyclopropylethylamino)furan-2-carboxylic acid
CID 62205847
6-(1-ethoxypropan-2-ylamino)pyridine-2-carboxylic acid
CID 62240918
2-(1-ethoxypropan-2-ylamino)-6-fluorobenzoic acid
CID 79522042

Frequently Asked Questions

What is the IUPAC name of 5-(1-ethoxypropan-2-ylamino)furan-2-carboxylic acid?
The IUPAC name of 5-(1-ethoxypropan-2-ylamino)furan-2-carboxylic acid (CID 62205149) is 5-(1-ethoxypropan-2-ylamino)furan-2-carboxylic acid.
What is the SMILES notation for 5-(1-ethoxypropan-2-ylamino)furan-2-carboxylic acid?
The canonical SMILES for 5-(1-ethoxypropan-2-ylamino)furan-2-carboxylic acid is CCOCC(C)Nc1ccc(C(=O)O)o1.
What is the InChIKey of 5-(1-ethoxypropan-2-ylamino)furan-2-carboxylic acid?
The InChIKey is USRZFWNSAQGHSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4/c1-3-14-6-7(2)11-9-5-4-8(15-9)10(12)13/h4-5,7,11H,3,6H2,1-2H3,(H,12,13).
What are the key properties of 5-(1-ethoxypropan-2-ylamino)furan-2-carboxylic acid?
5-(1-ethoxypropan-2-ylamino)furan-2-carboxylic acid has a molecular weight of 213.23 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-ethoxypropan-2-ylamino)furan-2-carboxylic acid is sourced from PubChem (CID 62205149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).