2-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]propanoic acid

C11H16N2O4 — CID 54958457

IUPAC2-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]propanoic acid
SMILESCc1ccc(C(C)NC(=O)NC(C)C(=O)O)o1
InChIInChI=1S/C11H16N2O4/c1-6-4-5-9(17-6)7(2)12-11(16)13-8(3)10(14)15/h4-5,7-8H,1-3H3,(H,14,15)(H2,12,13,16)
InChIKeyUOUBFELLRXNDMI-UHFFFAOYSA-N
MW240.26 g/mol
LogP1.42
Rot. Bonds4

About 2-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]propanoic acid

2-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]propanoic acid (PubChem CID 54958457) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]propanoic acid.

Molecular Properties

Compound Name2-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]propanoic acid
PubChem CID54958457
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name2-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]propanoic acid
SMILESCc1ccc(C(C)NC(=O)NC(C)C(=O)O)o1
InChIInChI=1S/C11H16N2O4/c1-6-4-5-9(17-6)7(2)12-11(16)13-8(3)10(14)15/h4-5,7-8H,1-3H3,(H,14,15)(H2,12,13,16)
InChIKeyUOUBFELLRXNDMI-UHFFFAOYSA-N
XLogP1.42
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[1-(5-methylfuran-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

(2S)-4-hydroxy-2-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]butanoic acid
CID 107826832
2-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]acetic acid
CID 61479193
2-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]hexanoic acid
CID 61478894
2-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]-4-methylsulfanylbutanoic acid
CID 61478645
2-ethyl-2-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]butanoic acid
CID 79803748
2-methyl-5-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]pentanoic acid
CID 104686399
2-[1-(furan-2-yl)ethylcarbamoylamino]propanoic acid
CID 61199815
2,3-dimethyl-4-[1-(5-methylfuran-2-yl)ethylamino]-4-oxobut-2-enoic acid
CID 76993202
2-hydroxy-2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]propanamide
CID 104936607
2,2,2-trifluoro-N-[1-(5-methylfuran-2-yl)ethyl]acetamide
CID 62491445
N-[1-(5-methylfuran-2-yl)ethyl]prop-2-enamide
CID 43697663
N-[1-(5-methylfuran-2-yl)ethyl]-2-(4-methylphenyl)-2-oxoacetamide
CID 47121321

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]propanoic acid?
The IUPAC name of 2-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]propanoic acid (CID 54958457) is 2-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]propanoic acid.
What is the SMILES notation for 2-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]propanoic acid?
The canonical SMILES for 2-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]propanoic acid is Cc1ccc(C(C)NC(=O)NC(C)C(=O)O)o1.
What is the InChIKey of 2-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]propanoic acid?
The InChIKey is UOUBFELLRXNDMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-6-4-5-9(17-6)7(2)12-11(16)13-8(3)10(14)15/h4-5,7-8H,1-3H3,(H,14,15)(H2,12,13,16).
What are the key properties of 2-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]propanoic acid?
2-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]propanoic acid has a molecular weight of 240.26 g/mol, XLogP of 1.42, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]propanoic acid is sourced from PubChem (CID 54958457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).