5-[1-(2-methylpropoxyamino)ethyl]furan-2-carboxylic acid

C11H17NO4 — CID 103261589

IUPAC5-[1-(2-methylpropoxyamino)ethyl]furan-2-carboxylic acid
SMILESCC(C)CONC(C)c1ccc(C(=O)O)o1
InChIInChI=1S/C11H17NO4/c1-7(2)6-15-12-8(3)9-4-5-10(16-9)11(13)14/h4-5,7-8,12H,6H2,1-3H3,(H,13,14)
InChIKeyTZFANKVHCYHMIV-UHFFFAOYSA-N
MW227.26 g/mol
LogP2.22
Rot. Bonds6

About 5-[1-(2-methylpropoxyamino)ethyl]furan-2-carboxylic acid

5-[1-(2-methylpropoxyamino)ethyl]furan-2-carboxylic acid (PubChem CID 103261589) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is 5-[1-(2-methylpropoxyamino)ethyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[1-(2-methylpropoxyamino)ethyl]furan-2-carboxylic acid
PubChem CID103261589
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Name5-[1-(2-methylpropoxyamino)ethyl]furan-2-carboxylic acid
SMILESCC(C)CONC(C)c1ccc(C(=O)O)o1
InChIInChI=1S/C11H17NO4/c1-7(2)6-15-12-8(3)9-4-5-10(16-9)11(13)14/h4-5,7-8,12H,6H2,1-3H3,(H,13,14)
InChIKeyTZFANKVHCYHMIV-UHFFFAOYSA-N
XLogP2.22
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[1-(pentan-3-ylamino)ethyl]furan-2-carboxylic acid
CID 103231116
5-[1-(2-methoxyethylamino)ethyl]furan-2-carboxylic acid
CID 103230958
5-(1-bromoethyl)furan-2-carboxylic acid
CID 174249698
5-[1-(cyclopentylmethylamino)ethyl]furan-2-carboxylic acid
CID 103237753
5-[1-[[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]ethyl]furan-2-carboxylic acid
CID 103262559
5-[1-(2-ethylbutylamino)ethyl]furan-2-carboxylic acid
CID 103267053
5-[1-(2-methylpentan-3-ylamino)ethyl]furan-2-carboxylic acid
CID 103244167
5-[1-(3-methylpentan-3-ylamino)ethyl]furan-2-carboxylic acid
CID 106330201
methyl 5-[1-[(2-amino-2-oxoethoxy)amino]ethyl]furan-2-carboxylate
CID 103263647
5-[1-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]ethyl]furan-2-carboxylic acid
CID 103258552
5-[1-[2-(methoxymethyl)anilino]ethyl]furan-2-carboxylic acid
CID 103247181
5-[(1S)-1-(phenylmethoxycarbonylamino)ethyl]furan-2-carboxylic acid
CID 11701995

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-methylpropoxyamino)ethyl]furan-2-carboxylic acid?
The IUPAC name of 5-[1-(2-methylpropoxyamino)ethyl]furan-2-carboxylic acid (CID 103261589) is 5-[1-(2-methylpropoxyamino)ethyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[1-(2-methylpropoxyamino)ethyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[1-(2-methylpropoxyamino)ethyl]furan-2-carboxylic acid is CC(C)CONC(C)c1ccc(C(=O)O)o1.
What is the InChIKey of 5-[1-(2-methylpropoxyamino)ethyl]furan-2-carboxylic acid?
The InChIKey is TZFANKVHCYHMIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4/c1-7(2)6-15-12-8(3)9-4-5-10(16-9)11(13)14/h4-5,7-8,12H,6H2,1-3H3,(H,13,14).
What are the key properties of 5-[1-(2-methylpropoxyamino)ethyl]furan-2-carboxylic acid?
5-[1-(2-methylpropoxyamino)ethyl]furan-2-carboxylic acid has a molecular weight of 227.26 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-methylpropoxyamino)ethyl]furan-2-carboxylic acid is sourced from PubChem (CID 103261589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).