3-[[1-(furan-2-yl)propan-2-ylcarbamoylamino]methyl]pentanoic acid

C14H22N2O4 — CID 81070085

IUPAC3-[[1-(furan-2-yl)propan-2-ylcarbamoylamino]methyl]pentanoic acid
SMILESCCC(CNC(=O)NC(C)Cc1ccco1)CC(=O)O
InChIInChI=1S/C14H22N2O4/c1-3-11(8-13(17)18)9-15-14(19)16-10(2)7-12-5-4-6-20-12/h4-6,10-11H,3,7-9H2,1-2H3,(H,17,18)(H2,15,16,19)
InChIKeySUXJVZCSTXJPQT-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.01
Rot. Bonds8

About 3-[[1-(furan-2-yl)propan-2-ylcarbamoylamino]methyl]pentanoic acid

3-[[1-(furan-2-yl)propan-2-ylcarbamoylamino]methyl]pentanoic acid (PubChem CID 81070085) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 3-[[1-(furan-2-yl)propan-2-ylcarbamoylamino]methyl]pentanoic acid.

Molecular Properties

Compound Name3-[[1-(furan-2-yl)propan-2-ylcarbamoylamino]methyl]pentanoic acid
PubChem CID81070085
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name3-[[1-(furan-2-yl)propan-2-ylcarbamoylamino]methyl]pentanoic acid
SMILESCCC(CNC(=O)NC(C)Cc1ccco1)CC(=O)O
InChIInChI=1S/C14H22N2O4/c1-3-11(8-13(17)18)9-15-14(19)16-10(2)7-12-5-4-6-20-12/h4-6,10-11H,3,7-9H2,1-2H3,(H,17,18)(H2,15,16,19)
InChIKeySUXJVZCSTXJPQT-UHFFFAOYSA-N
XLogP2.01
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-(furan-2-yl)propan-2-ylcarbamoylamino]-3-methylbutanoic acid
CID 81070013
2-[[1-(furan-2-yl)propan-2-ylcarbamoylamino]methyl]-3-methylbutanoic acid
CID 65223156
7-[1-(furan-2-yl)propan-2-ylcarbamoylamino]heptanoic acid
CID 61471041
2-ethyl-2-[1-(furan-2-yl)propan-2-ylcarbamoylamino]butanoic acid
CID 79803984
3-chloro-N-[1-(furan-2-yl)propan-2-yl]-2-methylpropanamide
CID 62728492
4-amino-2-[1-(furan-2-yl)propan-2-ylcarbamoylamino]-4-oxobutanoic acid
CID 61471638
2-[1-(furan-2-yl)propan-2-ylcarbamoylamino]pentanedioic acid
CID 61471226
3-[1-(furan-2-yl)propan-2-ylcarbamoylamino]-2,2-dimethylpropanamide
CID 56796180
N-[1-(furan-2-yl)propan-2-yl]benzamide
CID 47148390
(3R)-3-(furan-2-ylmethyl)-4-hydroxybutanoic acid
CID 142030961
1-ethyl-3-[4-(furan-2-yl)butan-2-yl]urea
CID 115571916
2-(2-methylpropyl)furan;propanoic acid
CID 158583493

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(furan-2-yl)propan-2-ylcarbamoylamino]methyl]pentanoic acid?
The IUPAC name of 3-[[1-(furan-2-yl)propan-2-ylcarbamoylamino]methyl]pentanoic acid (CID 81070085) is 3-[[1-(furan-2-yl)propan-2-ylcarbamoylamino]methyl]pentanoic acid.
What is the SMILES notation for 3-[[1-(furan-2-yl)propan-2-ylcarbamoylamino]methyl]pentanoic acid?
The canonical SMILES for 3-[[1-(furan-2-yl)propan-2-ylcarbamoylamino]methyl]pentanoic acid is CCC(CNC(=O)NC(C)Cc1ccco1)CC(=O)O.
What is the InChIKey of 3-[[1-(furan-2-yl)propan-2-ylcarbamoylamino]methyl]pentanoic acid?
The InChIKey is SUXJVZCSTXJPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-3-11(8-13(17)18)9-15-14(19)16-10(2)7-12-5-4-6-20-12/h4-6,10-11H,3,7-9H2,1-2H3,(H,17,18)(H2,15,16,19).
What are the key properties of 3-[[1-(furan-2-yl)propan-2-ylcarbamoylamino]methyl]pentanoic acid?
3-[[1-(furan-2-yl)propan-2-ylcarbamoylamino]methyl]pentanoic acid has a molecular weight of 282.34 g/mol, XLogP of 2.01, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(furan-2-yl)propan-2-ylcarbamoylamino]methyl]pentanoic acid is sourced from PubChem (CID 81070085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).