5-[1-[[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]ethyl]furan-2-carboxylic acid

C14H22N2O4 — CID 103262559

IUPAC5-[1-[[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]ethyl]furan-2-carboxylic acid
SMILESCC(C)CNC(=O)C(C)NC(C)c1ccc(C(=O)O)o1
InChIInChI=1S/C14H22N2O4/c1-8(2)7-15-13(17)10(4)16-9(3)11-5-6-12(20-11)14(18)19/h5-6,8-10,16H,7H2,1-4H3,(H,15,17)(H,18,19)
InChIKeyDAFAHCGAONCCOZ-UHFFFAOYSA-N
MW282.34 g/mol
LogP1.79
Rot. Bonds7

About 5-[1-[[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]ethyl]furan-2-carboxylic acid

5-[1-[[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]ethyl]furan-2-carboxylic acid (PubChem CID 103262559) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 5-[1-[[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]ethyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[1-[[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]ethyl]furan-2-carboxylic acid
PubChem CID103262559
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name5-[1-[[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]ethyl]furan-2-carboxylic acid
SMILESCC(C)CNC(=O)C(C)NC(C)c1ccc(C(=O)O)o1
InChIInChI=1S/C14H22N2O4/c1-8(2)7-15-13(17)10(4)16-9(3)11-5-6-12(20-11)14(18)19/h5-6,8-10,16H,7H2,1-4H3,(H,15,17)(H,18,19)
InChIKeyDAFAHCGAONCCOZ-UHFFFAOYSA-N
XLogP1.79
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-[1-[[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]ethyl]furan-2-carboxylic acid with MolForge

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Related Compounds

5-[1-(pentan-3-ylamino)ethyl]furan-2-carboxylic acid
CID 103231116
N-(2-methylpropyl)-2-[[(1S)-1-phenylethyl]amino]propanamide
CID 63705951
5-[1-(2-methylpentan-3-ylamino)ethyl]furan-2-carboxylic acid
CID 103244167
5-[1-(2-methylpropoxyamino)ethyl]furan-2-carboxylic acid
CID 103261589
5-[1-(2-ethylbutylamino)ethyl]furan-2-carboxylic acid
CID 103267053
2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-(2-methylpropyl)propanamide
CID 81359950
5-[1-[(2-ethylphenyl)methylamino]ethyl]furan-2-carboxylic acid
CID 103253263
5-[1-[[(1R)-1-(4-chlorophenyl)ethyl]amino]ethyl]furan-2-carboxylic acid
CID 103257201
5-(1-bromoethyl)furan-2-carboxylic acid
CID 174249698
5-[1-[[3-(methylamino)-3-oxopropyl]amino]ethyl]furan-2-carboxylic acid
CID 103245946
5-[1-(3-methylpentan-3-ylamino)ethyl]furan-2-carboxylic acid
CID 106330201
5-[1-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]ethyl]furan-2-carboxylic acid
CID 103258552

Frequently Asked Questions

What is the IUPAC name of 5-[1-[[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]ethyl]furan-2-carboxylic acid?
The IUPAC name of 5-[1-[[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]ethyl]furan-2-carboxylic acid (CID 103262559) is 5-[1-[[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]ethyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[1-[[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]ethyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[1-[[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]ethyl]furan-2-carboxylic acid is CC(C)CNC(=O)C(C)NC(C)c1ccc(C(=O)O)o1.
What is the InChIKey of 5-[1-[[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]ethyl]furan-2-carboxylic acid?
The InChIKey is DAFAHCGAONCCOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-8(2)7-15-13(17)10(4)16-9(3)11-5-6-12(20-11)14(18)19/h5-6,8-10,16H,7H2,1-4H3,(H,15,17)(H,18,19).
What are the key properties of 5-[1-[[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]ethyl]furan-2-carboxylic acid?
5-[1-[[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]ethyl]furan-2-carboxylic acid has a molecular weight of 282.34 g/mol, XLogP of 1.79, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]ethyl]furan-2-carboxylic acid is sourced from PubChem (CID 103262559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).