2-cyclopropyl-2-[1-(furan-2-yl)ethylcarbamoylamino]propanoic acid

C13H18N2O4 — CID 61197563

IUPAC2-cyclopropyl-2-[1-(furan-2-yl)ethylcarbamoylamino]propanoic acid
SMILESCC(NC(=O)NC(C)(C(=O)O)C1CC1)c1ccco1
InChIInChI=1S/C13H18N2O4/c1-8(10-4-3-7-19-10)14-12(18)15-13(2,11(16)17)9-5-6-9/h3-4,7-9H,5-6H2,1-2H3,(H,16,17)(H2,14,15,18)
InChIKeyIGINBZKNNNUPSH-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.89
Rot. Bonds5

About 2-cyclopropyl-2-[1-(furan-2-yl)ethylcarbamoylamino]propanoic acid

2-cyclopropyl-2-[1-(furan-2-yl)ethylcarbamoylamino]propanoic acid (PubChem CID 61197563) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-cyclopropyl-2-[1-(furan-2-yl)ethylcarbamoylamino]propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[1-(furan-2-yl)ethylcarbamoylamino]propanoic acid
PubChem CID61197563
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name2-cyclopropyl-2-[1-(furan-2-yl)ethylcarbamoylamino]propanoic acid
SMILESCC(NC(=O)NC(C)(C(=O)O)C1CC1)c1ccco1
InChIInChI=1S/C13H18N2O4/c1-8(10-4-3-7-19-10)14-12(18)15-13(2,11(16)17)9-5-6-9/h3-4,7-9H,5-6H2,1-2H3,(H,16,17)(H2,14,15,18)
InChIKeyIGINBZKNNNUPSH-UHFFFAOYSA-N
XLogP1.89
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-cyclopropyl-2-[1-(furan-2-yl)ethylcarbamoylamino]propanoic 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

2-amino-2-cyclopropyl-N-[1-(furan-2-yl)ethyl]propanamide
CID 60866793
2-cyclopropyl-2-[2-(furan-2-carbonylamino)propanoylamino]propanoic acid
CID 43172563
2-cyclopropyl-2-[1-(5-methylthiophen-2-yl)ethylcarbamoylamino]propanoic acid
CID 61475527
3-[1-(furan-2-yl)ethylcarbamoylamino]-2,2-dimethylpropanoic acid
CID 115428423
2-[1-(furan-2-yl)ethylcarbamoylamino]propanoic acid
CID 61199815
1-[(1S)-1-(furan-2-yl)ethyl]-3-phenylurea
CID 51473392
1-[(1R)-1-(furan-2-yl)ethyl]-3-phenylurea
CID 51473393
2-[1-(furan-2-yl)ethylamino]-2-methylpropanoic acid
CID 82238331
(1S,6R)-6-[[(1R)-1-(furan-2-yl)ethyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 93037484
4-[1-(furan-2-yl)ethylcarbamoylamino]benzoic acid
CID 61199818
N-[1-(furan-2-yl)ethyl]acetamide
CID 22460009
N-[1-(furan-2-yl)ethyl]-2-hydroxycyclopentane-1-carboxamide
CID 110015111

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[1-(furan-2-yl)ethylcarbamoylamino]propanoic acid?
The IUPAC name of 2-cyclopropyl-2-[1-(furan-2-yl)ethylcarbamoylamino]propanoic acid (CID 61197563) is 2-cyclopropyl-2-[1-(furan-2-yl)ethylcarbamoylamino]propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-[1-(furan-2-yl)ethylcarbamoylamino]propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-[1-(furan-2-yl)ethylcarbamoylamino]propanoic acid is CC(NC(=O)NC(C)(C(=O)O)C1CC1)c1ccco1.
What is the InChIKey of 2-cyclopropyl-2-[1-(furan-2-yl)ethylcarbamoylamino]propanoic acid?
The InChIKey is IGINBZKNNNUPSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-8(10-4-3-7-19-10)14-12(18)15-13(2,11(16)17)9-5-6-9/h3-4,7-9H,5-6H2,1-2H3,(H,16,17)(H2,14,15,18).
What are the key properties of 2-cyclopropyl-2-[1-(furan-2-yl)ethylcarbamoylamino]propanoic acid?
2-cyclopropyl-2-[1-(furan-2-yl)ethylcarbamoylamino]propanoic acid has a molecular weight of 266.30 g/mol, XLogP of 1.89, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[1-(furan-2-yl)ethylcarbamoylamino]propanoic acid is sourced from PubChem (CID 61197563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).