3-[cyclopropyl-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]amino]propanoic acid

C14H20N2O4 — CID 61199412

IUPAC3-[cyclopropyl-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]amino]propanoic acid
SMILESCc1ccc(CN(C)C(=O)N(CCC(=O)O)C2CC2)o1
InChIInChI=1S/C14H20N2O4/c1-10-3-6-12(20-10)9-15(2)14(19)16(11-4-5-11)8-7-13(17)18/h3,6,11H,4-5,7-9H2,1-2H3,(H,17,18)
InChIKeyHHACUDMSGYDTFG-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.08
Rot. Bonds6

About 3-[cyclopropyl-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]amino]propanoic acid

3-[cyclopropyl-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]amino]propanoic acid (PubChem CID 61199412) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 3-[cyclopropyl-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]amino]propanoic acid
PubChem CID61199412
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name3-[cyclopropyl-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]amino]propanoic acid
SMILESCc1ccc(CN(C)C(=O)N(CCC(=O)O)C2CC2)o1
InChIInChI=1S/C14H20N2O4/c1-10-3-6-12(20-10)9-15(2)14(19)16(11-4-5-11)8-7-13(17)18/h3,6,11H,4-5,7-9H2,1-2H3,(H,17,18)
InChIKeyHHACUDMSGYDTFG-UHFFFAOYSA-N
XLogP2.08
TPSA73.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]amino]propanoic acid?
The IUPAC name of 3-[cyclopropyl-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]amino]propanoic acid (CID 61199412) is 3-[cyclopropyl-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]amino]propanoic acid.
What is the SMILES notation for 3-[cyclopropyl-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]amino]propanoic acid?
The canonical SMILES for 3-[cyclopropyl-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]amino]propanoic acid is Cc1ccc(CN(C)C(=O)N(CCC(=O)O)C2CC2)o1.
What is the InChIKey of 3-[cyclopropyl-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]amino]propanoic acid?
The InChIKey is HHACUDMSGYDTFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-10-3-6-12(20-10)9-15(2)14(19)16(11-4-5-11)8-7-13(17)18/h3,6,11H,4-5,7-9H2,1-2H3,(H,17,18).
What are the key properties of 3-[cyclopropyl-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]amino]propanoic acid?
3-[cyclopropyl-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]amino]propanoic acid has a molecular weight of 280.32 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]amino]propanoic acid is sourced from PubChem (CID 61199412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).