5-[[(1-amino-1-oxopropan-2-yl)carbamoylamino]methyl]-2-methylfuran-3-carboxylic acid

C11H15N3O5 — CID 61202805

IUPAC5-[[(1-amino-1-oxopropan-2-yl)carbamoylamino]methyl]-2-methylfuran-3-carboxylic acid
SMILESCc1oc(CNC(=O)NC(C)C(N)=O)cc1C(=O)O
InChIInChI=1S/C11H15N3O5/c1-5(9(12)15)14-11(18)13-4-7-3-8(10(16)17)6(2)19-7/h3,5H,4H2,1-2H3,(H2,12,15)(H,16,17)(H2,13,14,18)
InChIKeyDARDODDSHVKJPC-UHFFFAOYSA-N
MW269.26 g/mol
LogP-0.04
Rot. Bonds5

About 5-[[(1-amino-1-oxopropan-2-yl)carbamoylamino]methyl]-2-methylfuran-3-carboxylic acid

5-[[(1-amino-1-oxopropan-2-yl)carbamoylamino]methyl]-2-methylfuran-3-carboxylic acid (PubChem CID 61202805) has the molecular formula C11H15N3O5 and a molecular weight of 269.26 g/mol. Its IUPAC name is 5-[[(1-amino-1-oxopropan-2-yl)carbamoylamino]methyl]-2-methylfuran-3-carboxylic acid.

Molecular Properties

Compound Name5-[[(1-amino-1-oxopropan-2-yl)carbamoylamino]methyl]-2-methylfuran-3-carboxylic acid
PubChem CID61202805
Molecular FormulaC11H15N3O5
Molecular Weight269.26 g/mol
Exact Mass269.10
IUPAC Name5-[[(1-amino-1-oxopropan-2-yl)carbamoylamino]methyl]-2-methylfuran-3-carboxylic acid
SMILESCc1oc(CNC(=O)NC(C)C(N)=O)cc1C(=O)O
InChIInChI=1S/C11H15N3O5/c1-5(9(12)15)14-11(18)13-4-7-3-8(10(16)17)6(2)19-7/h3,5H,4H2,1-2H3,(H2,12,15)(H,16,17)(H2,13,14,18)
InChIKeyDARDODDSHVKJPC-UHFFFAOYSA-N
XLogP-0.04
TPSA134.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 5-0.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[(1-amino-1-oxopropan-2-yl)carbamoylamino]methyl]-2-methylfuran-3-carboxylic acid?
The IUPAC name of 5-[[(1-amino-1-oxopropan-2-yl)carbamoylamino]methyl]-2-methylfuran-3-carboxylic acid (CID 61202805) is 5-[[(1-amino-1-oxopropan-2-yl)carbamoylamino]methyl]-2-methylfuran-3-carboxylic acid.
What is the SMILES notation for 5-[[(1-amino-1-oxopropan-2-yl)carbamoylamino]methyl]-2-methylfuran-3-carboxylic acid?
The canonical SMILES for 5-[[(1-amino-1-oxopropan-2-yl)carbamoylamino]methyl]-2-methylfuran-3-carboxylic acid is Cc1oc(CNC(=O)NC(C)C(N)=O)cc1C(=O)O.
What is the InChIKey of 5-[[(1-amino-1-oxopropan-2-yl)carbamoylamino]methyl]-2-methylfuran-3-carboxylic acid?
The InChIKey is DARDODDSHVKJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O5/c1-5(9(12)15)14-11(18)13-4-7-3-8(10(16)17)6(2)19-7/h3,5H,4H2,1-2H3,(H2,12,15)(H,16,17)(H2,13,14,18).
What are the key properties of 5-[[(1-amino-1-oxopropan-2-yl)carbamoylamino]methyl]-2-methylfuran-3-carboxylic acid?
5-[[(1-amino-1-oxopropan-2-yl)carbamoylamino]methyl]-2-methylfuran-3-carboxylic acid has a molecular weight of 269.26 g/mol, XLogP of -0.04, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1-amino-1-oxopropan-2-yl)carbamoylamino]methyl]-2-methylfuran-3-carboxylic acid is sourced from PubChem (CID 61202805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).