2-[(2-methylfuran-3-carbonyl)-(oxan-4-yl)amino]acetic acid

C13H17NO5 — CID 154740702

IUPAC2-[(2-methylfuran-3-carbonyl)-(oxan-4-yl)amino]acetic acid
SMILESCc1occc1C(=O)N(CC(=O)O)C1CCOCC1
InChIInChI=1S/C13H17NO5/c1-9-11(4-7-19-9)13(17)14(8-12(15)16)10-2-5-18-6-3-10/h4,7,10H,2-3,5-6,8H2,1H3,(H,15,16)
InChIKeyRPLSMWIEJLXIDJ-UHFFFAOYSA-N
MW267.28 g/mol
LogP1.29
Rot. Bonds4

About 2-[(2-methylfuran-3-carbonyl)-(oxan-4-yl)amino]acetic acid

2-[(2-methylfuran-3-carbonyl)-(oxan-4-yl)amino]acetic acid (PubChem CID 154740702) has the molecular formula C13H17NO5 and a molecular weight of 267.28 g/mol. Its IUPAC name is 2-[(2-methylfuran-3-carbonyl)-(oxan-4-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-methylfuran-3-carbonyl)-(oxan-4-yl)amino]acetic acid
PubChem CID154740702
Molecular FormulaC13H17NO5
Molecular Weight267.28 g/mol
Exact Mass267.11
IUPAC Name2-[(2-methylfuran-3-carbonyl)-(oxan-4-yl)amino]acetic acid
SMILESCc1occc1C(=O)N(CC(=O)O)C1CCOCC1
InChIInChI=1S/C13H17NO5/c1-9-11(4-7-19-9)13(17)14(8-12(15)16)10-2-5-18-6-3-10/h4,7,10H,2-3,5-6,8H2,1H3,(H,15,16)
InChIKeyRPLSMWIEJLXIDJ-UHFFFAOYSA-N
XLogP1.29
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylfuran-3-carbonyl)-(oxan-4-yl)amino]acetic acid?
The IUPAC name of 2-[(2-methylfuran-3-carbonyl)-(oxan-4-yl)amino]acetic acid (CID 154740702) is 2-[(2-methylfuran-3-carbonyl)-(oxan-4-yl)amino]acetic acid.
What is the SMILES notation for 2-[(2-methylfuran-3-carbonyl)-(oxan-4-yl)amino]acetic acid?
The canonical SMILES for 2-[(2-methylfuran-3-carbonyl)-(oxan-4-yl)amino]acetic acid is Cc1occc1C(=O)N(CC(=O)O)C1CCOCC1.
What is the InChIKey of 2-[(2-methylfuran-3-carbonyl)-(oxan-4-yl)amino]acetic acid?
The InChIKey is RPLSMWIEJLXIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO5/c1-9-11(4-7-19-9)13(17)14(8-12(15)16)10-2-5-18-6-3-10/h4,7,10H,2-3,5-6,8H2,1H3,(H,15,16).
What are the key properties of 2-[(2-methylfuran-3-carbonyl)-(oxan-4-yl)amino]acetic acid?
2-[(2-methylfuran-3-carbonyl)-(oxan-4-yl)amino]acetic acid has a molecular weight of 267.28 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylfuran-3-carbonyl)-(oxan-4-yl)amino]acetic acid is sourced from PubChem (CID 154740702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).