3-[ethyl-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]amino]-2-methylpropanoic acid

C14H22N2O4 — CID 62852289

IUPAC3-[ethyl-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]amino]-2-methylpropanoic acid
SMILESCCN(CC(C)C(=O)O)C(=O)N(C)Cc1ccc(C)o1
InChIInChI=1S/C14H22N2O4/c1-5-16(8-10(2)13(17)18)14(19)15(4)9-12-7-6-11(3)20-12/h6-7,10H,5,8-9H2,1-4H3,(H,17,18)
InChIKeyOHGXUSFDPMQBFO-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.18
Rot. Bonds6

About 3-[ethyl-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]amino]-2-methylpropanoic acid

3-[ethyl-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]amino]-2-methylpropanoic acid (PubChem CID 62852289) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 3-[ethyl-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[ethyl-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]amino]-2-methylpropanoic acid
PubChem CID62852289
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name3-[ethyl-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]amino]-2-methylpropanoic acid
SMILESCCN(CC(C)C(=O)O)C(=O)N(C)Cc1ccc(C)o1
InChIInChI=1S/C14H22N2O4/c1-5-16(8-10(2)13(17)18)14(19)15(4)9-12-7-6-11(3)20-12/h6-7,10H,5,8-9H2,1-4H3,(H,17,18)
InChIKeyOHGXUSFDPMQBFO-UHFFFAOYSA-N
XLogP2.18
TPSA73.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]amino]-2-methylpropanoic acid?
The IUPAC name of 3-[ethyl-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]amino]-2-methylpropanoic acid (CID 62852289) is 3-[ethyl-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[ethyl-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[ethyl-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]amino]-2-methylpropanoic acid is CCN(CC(C)C(=O)O)C(=O)N(C)Cc1ccc(C)o1.
What is the InChIKey of 3-[ethyl-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]amino]-2-methylpropanoic acid?
The InChIKey is OHGXUSFDPMQBFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-5-16(8-10(2)13(17)18)14(19)15(4)9-12-7-6-11(3)20-12/h6-7,10H,5,8-9H2,1-4H3,(H,17,18).
What are the key properties of 3-[ethyl-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]amino]-2-methylpropanoic acid?
3-[ethyl-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]amino]-2-methylpropanoic acid has a molecular weight of 282.34 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 62852289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).