2-(furan-2-ylmethylcarbamoylamino)pentanedioic acid

C11H14N2O6 — CID 61189328

IUPAC2-(furan-2-ylmethylcarbamoylamino)pentanedioic acid
SMILESO=C(O)CCC(NC(=O)NCc1ccco1)C(=O)O
InChIInChI=1S/C11H14N2O6/c14-9(15)4-3-8(10(16)17)13-11(18)12-6-7-2-1-5-19-7/h1-2,5,8H,3-4,6H2,(H,14,15)(H,16,17)(H2,12,13,18)
InChIKeyPRBBOSLFDQWSFU-UHFFFAOYSA-N
MW270.24 g/mol
LogP0.40
Rot. Bonds7

About 2-(furan-2-ylmethylcarbamoylamino)pentanedioic acid

2-(furan-2-ylmethylcarbamoylamino)pentanedioic acid (PubChem CID 61189328) has the molecular formula C11H14N2O6 and a molecular weight of 270.24 g/mol. Its IUPAC name is 2-(furan-2-ylmethylcarbamoylamino)pentanedioic acid.

Molecular Properties

Compound Name2-(furan-2-ylmethylcarbamoylamino)pentanedioic acid
PubChem CID61189328
Molecular FormulaC11H14N2O6
Molecular Weight270.24 g/mol
Exact Mass270.09
IUPAC Name2-(furan-2-ylmethylcarbamoylamino)pentanedioic acid
SMILESO=C(O)CCC(NC(=O)NCc1ccco1)C(=O)O
InChIInChI=1S/C11H14N2O6/c14-9(15)4-3-8(10(16)17)13-11(18)12-6-7-2-1-5-19-7/h1-2,5,8H,3-4,6H2,(H,14,15)(H,16,17)(H2,12,13,18)
InChIKeyPRBBOSLFDQWSFU-UHFFFAOYSA-N
XLogP0.40
TPSA128.87 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.24
LogP ≤ 50.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-(furan-2-ylmethylcarbamoylamino)pentanedioic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-(furan-2-ylmethylcarbamoylamino)-4-hydroxybutanoic acid
CID 107825520
2-(furan-2-ylmethylcarbamoylamino)pentanoic acid
CID 61188799
(2S)-2-(furan-2-ylmethylcarbamoylamino)-3-phenylpropanoic acid
CID 938813
2-[1-(furan-2-yl)propan-2-ylcarbamoylamino]pentanedioic acid
CID 61471226
2-(furan-2-ylmethylcarbamoylamino)propanoic acid
CID 4273789
1-(furan-2-ylmethyl)-3-propan-2-ylurea
CID 819269
2-(furan-2-ylmethylcarbamoylamino)-2-phenylacetic acid
CID 61188974
4-(furan-2-ylmethylamino)-5-oxo-5-phenylpentanoic acid
CID 82347367
(2S)-2-[(2-fluorophenyl)methylcarbamoylamino]pentanedioic acid
CID 61189681
6-(furan-2-ylmethylcarbamoylamino)hexanoic acid
CID 61188617
(2S)-2-[(5-ethylthiophen-2-yl)methylcarbamoylamino]pentanedioic acid
CID 106005543
2-(thiophen-3-ylmethylcarbamoylamino)pentanedioic acid
CID 55175256

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethylcarbamoylamino)pentanedioic acid?
The IUPAC name of 2-(furan-2-ylmethylcarbamoylamino)pentanedioic acid (CID 61189328) is 2-(furan-2-ylmethylcarbamoylamino)pentanedioic acid.
What is the SMILES notation for 2-(furan-2-ylmethylcarbamoylamino)pentanedioic acid?
The canonical SMILES for 2-(furan-2-ylmethylcarbamoylamino)pentanedioic acid is O=C(O)CCC(NC(=O)NCc1ccco1)C(=O)O.
What is the InChIKey of 2-(furan-2-ylmethylcarbamoylamino)pentanedioic acid?
The InChIKey is PRBBOSLFDQWSFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O6/c14-9(15)4-3-8(10(16)17)13-11(18)12-6-7-2-1-5-19-7/h1-2,5,8H,3-4,6H2,(H,14,15)(H,16,17)(H2,12,13,18).
What are the key properties of 2-(furan-2-ylmethylcarbamoylamino)pentanedioic acid?
2-(furan-2-ylmethylcarbamoylamino)pentanedioic acid has a molecular weight of 270.24 g/mol, XLogP of 0.40, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethylcarbamoylamino)pentanedioic acid is sourced from PubChem (CID 61189328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).