2-[[2-(furan-2-ylmethylcarbamoylamino)acetyl]-propylamino]acetic acid

C13H19N3O5 — CID 119204949

IUPAC2-[[2-(furan-2-ylmethylcarbamoylamino)acetyl]-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)CNC(=O)NCc1ccco1
InChIInChI=1S/C13H19N3O5/c1-2-5-16(9-12(18)19)11(17)8-15-13(20)14-7-10-4-3-6-21-10/h3-4,6H,2,5,7-9H2,1H3,(H,18,19)(H2,14,15,20)
InChIKeyFFSLUBQZNWVSHM-UHFFFAOYSA-N
MW297.31 g/mol
LogP0.40
Rot. Bonds8

About 2-[[2-(furan-2-ylmethylcarbamoylamino)acetyl]-propylamino]acetic acid

2-[[2-(furan-2-ylmethylcarbamoylamino)acetyl]-propylamino]acetic acid (PubChem CID 119204949) has the molecular formula C13H19N3O5 and a molecular weight of 297.31 g/mol. Its IUPAC name is 2-[[2-(furan-2-ylmethylcarbamoylamino)acetyl]-propylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-(furan-2-ylmethylcarbamoylamino)acetyl]-propylamino]acetic acid
PubChem CID119204949
Molecular FormulaC13H19N3O5
Molecular Weight297.31 g/mol
Exact Mass297.13
IUPAC Name2-[[2-(furan-2-ylmethylcarbamoylamino)acetyl]-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)CNC(=O)NCc1ccco1
InChIInChI=1S/C13H19N3O5/c1-2-5-16(9-12(18)19)11(17)8-15-13(20)14-7-10-4-3-6-21-10/h3-4,6H,2,5,7-9H2,1H3,(H,18,19)(H2,14,15,20)
InChIKeyFFSLUBQZNWVSHM-UHFFFAOYSA-N
XLogP0.40
TPSA111.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(dipropylamino)-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 43061736
3-(furan-2-ylmethyl)-1,1-dipropylthiourea
CID 19653033
2-[(furan-2-ylmethylcarbamoylamino)methyl]pentanoic acid
CID 65218028
N-(furan-2-ylmethylcarbamoyl)-2-[2-hydroxyethyl(propyl)amino]acetamide
CID 60691736
2-(furan-2-yl)-N,N-dipropylacetamide
CID 110690666
1-[(E)-2,3-dimethylbut-1-enyl]-3-(furan-2-ylmethyl)urea
CID 108914673
2-[2-(dimethylamino)ethyl-[2-(furan-2-carbonylamino)acetyl]amino]acetic acid
CID 107423415
N-(furan-2-ylmethyl)acetamide
CID 2394850
2-(N-[2-(furan-2-ylmethylamino)-2-oxoethyl]anilino)acetic acid
CID 25219998
2-[(furan-2-ylmethylcarbamoylamino)methyl]butanoic acid
CID 65217978
2-(furan-2-ylmethylcarbamoylamino)pentanoic acid
CID 61188799
3-N-(furan-2-ylmethyl)-5-N,5-N-dipropylpyridine-3,5-dicarboxamide
CID 109104880

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(furan-2-ylmethylcarbamoylamino)acetyl]-propylamino]acetic acid?
The IUPAC name of 2-[[2-(furan-2-ylmethylcarbamoylamino)acetyl]-propylamino]acetic acid (CID 119204949) is 2-[[2-(furan-2-ylmethylcarbamoylamino)acetyl]-propylamino]acetic acid.
What is the SMILES notation for 2-[[2-(furan-2-ylmethylcarbamoylamino)acetyl]-propylamino]acetic acid?
The canonical SMILES for 2-[[2-(furan-2-ylmethylcarbamoylamino)acetyl]-propylamino]acetic acid is CCCN(CC(=O)O)C(=O)CNC(=O)NCc1ccco1.
What is the InChIKey of 2-[[2-(furan-2-ylmethylcarbamoylamino)acetyl]-propylamino]acetic acid?
The InChIKey is FFSLUBQZNWVSHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O5/c1-2-5-16(9-12(18)19)11(17)8-15-13(20)14-7-10-4-3-6-21-10/h3-4,6H,2,5,7-9H2,1H3,(H,18,19)(H2,14,15,20).
What are the key properties of 2-[[2-(furan-2-ylmethylcarbamoylamino)acetyl]-propylamino]acetic acid?
2-[[2-(furan-2-ylmethylcarbamoylamino)acetyl]-propylamino]acetic acid has a molecular weight of 297.31 g/mol, XLogP of 0.40, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(furan-2-ylmethylcarbamoylamino)acetyl]-propylamino]acetic acid is sourced from PubChem (CID 119204949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).