2-[[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]amino]pentanoic acid

C13H19N3O5 — CID 43631411

IUPAC2-[[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]amino]pentanoic acid
SMILESCCCC(NCC(=O)NC(=O)NCc1ccco1)C(=O)O
InChIInChI=1S/C13H19N3O5/c1-2-4-10(12(18)19)14-8-11(17)16-13(20)15-7-9-5-3-6-21-9/h3,5-6,10,14H,2,4,7-8H2,1H3,(H,18,19)(H2,15,16,17,20)
InChIKeyIXGYVZYYBUMVJB-UHFFFAOYSA-N
MW297.31 g/mol
LogP0.45
Rot. Bonds8

About 2-[[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]amino]pentanoic acid

2-[[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]amino]pentanoic acid (PubChem CID 43631411) has the molecular formula C13H19N3O5 and a molecular weight of 297.31 g/mol. Its IUPAC name is 2-[[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]amino]pentanoic acid.

Molecular Properties

Compound Name2-[[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]amino]pentanoic acid
PubChem CID43631411
Molecular FormulaC13H19N3O5
Molecular Weight297.31 g/mol
Exact Mass297.13
IUPAC Name2-[[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]amino]pentanoic acid
SMILESCCCC(NCC(=O)NC(=O)NCc1ccco1)C(=O)O
InChIInChI=1S/C13H19N3O5/c1-2-4-10(12(18)19)14-8-11(17)16-13(20)15-7-9-5-3-6-21-9/h3,5-6,10,14H,2,4,7-8H2,1H3,(H,18,19)(H2,15,16,17,20)
InChIKeyIXGYVZYYBUMVJB-UHFFFAOYSA-N
XLogP0.45
TPSA120.67 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 50.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]amino]propanoic acid
CID 83195218
2-(furan-2-ylmethylcarbamoylamino)pentanoic acid
CID 61188799
2-(benzhydrylamino)-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 7971062
N-(furan-2-ylmethylcarbamoyl)-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9391859
2-[(furan-2-ylmethylcarbamoylamino)methyl]pentanoic acid
CID 65218028
2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 9306254
2-(dipropylamino)-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 43061736
2-[[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]-methylamino]propanoic acid
CID 62637062
(2S)-2-(furan-2-ylmethylcarbamoylamino)-4-hydroxybutanoic acid
CID 107825520
2-[(furan-2-ylmethylcarbamoylamino)methyl]butanoic acid
CID 65217978
2-(furan-2-ylmethylcarbamoylamino)pentanedioic acid
CID 61189328
2-[[2-(methylcarbamoylamino)-2-oxoethyl]amino]pentanoic acid
CID 43631818

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]amino]pentanoic acid?
The IUPAC name of 2-[[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]amino]pentanoic acid (CID 43631411) is 2-[[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]amino]pentanoic acid.
What is the SMILES notation for 2-[[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]amino]pentanoic acid?
The canonical SMILES for 2-[[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]amino]pentanoic acid is CCCC(NCC(=O)NC(=O)NCc1ccco1)C(=O)O.
What is the InChIKey of 2-[[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]amino]pentanoic acid?
The InChIKey is IXGYVZYYBUMVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O5/c1-2-4-10(12(18)19)14-8-11(17)16-13(20)15-7-9-5-3-6-21-9/h3,5-6,10,14H,2,4,7-8H2,1H3,(H,18,19)(H2,15,16,17,20).
What are the key properties of 2-[[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]amino]pentanoic acid?
2-[[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]amino]pentanoic acid has a molecular weight of 297.31 g/mol, XLogP of 0.45, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]amino]pentanoic acid is sourced from PubChem (CID 43631411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).