2-[[2-[(5-tert-butyl-2-methylfuran-3-carbonyl)amino]acetyl]amino]acetic acid

C14H20N2O5 — CID 645395

IUPAC2-[[2-[(5-tert-butyl-2-methylfuran-3-carbonyl)amino]acetyl]amino]acetic acid
SMILESCc1oc(C(C)(C)C)cc1C(=O)NCC(=O)NCC(=O)O
InChIInChI=1S/C14H20N2O5/c1-8-9(5-10(21-8)14(2,3)4)13(20)16-6-11(17)15-7-12(18)19/h5H,6-7H2,1-4H3,(H,15,17)(H,16,20)(H,18,19)
InChIKeyHUZDCZIRBTZJNL-UHFFFAOYSA-N
MW296.32 g/mol
LogP0.82
Rot. Bonds5

About 2-[[2-[(5-tert-butyl-2-methylfuran-3-carbonyl)amino]acetyl]amino]acetic acid

2-[[2-[(5-tert-butyl-2-methylfuran-3-carbonyl)amino]acetyl]amino]acetic acid (PubChem CID 645395) has the molecular formula C14H20N2O5 and a molecular weight of 296.32 g/mol. Its IUPAC name is 2-[[2-[(5-tert-butyl-2-methylfuran-3-carbonyl)amino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[(5-tert-butyl-2-methylfuran-3-carbonyl)amino]acetyl]amino]acetic acid
PubChem CID645395
Molecular FormulaC14H20N2O5
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC Name2-[[2-[(5-tert-butyl-2-methylfuran-3-carbonyl)amino]acetyl]amino]acetic acid
SMILESCc1oc(C(C)(C)C)cc1C(=O)NCC(=O)NCC(=O)O
InChIInChI=1S/C14H20N2O5/c1-8-9(5-10(21-8)14(2,3)4)13(20)16-6-11(17)15-7-12(18)19/h5H,6-7H2,1-4H3,(H,15,17)(H,16,20)(H,18,19)
InChIKeyHUZDCZIRBTZJNL-UHFFFAOYSA-N
XLogP0.82
TPSA108.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(5-tert-butyl-2-methylfuran-3-carbonyl)amino]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[(5-tert-butyl-2-methylfuran-3-carbonyl)amino]acetyl]amino]acetic acid (CID 645395) is 2-[[2-[(5-tert-butyl-2-methylfuran-3-carbonyl)amino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[(5-tert-butyl-2-methylfuran-3-carbonyl)amino]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[(5-tert-butyl-2-methylfuran-3-carbonyl)amino]acetyl]amino]acetic acid is Cc1oc(C(C)(C)C)cc1C(=O)NCC(=O)NCC(=O)O.
What is the InChIKey of 2-[[2-[(5-tert-butyl-2-methylfuran-3-carbonyl)amino]acetyl]amino]acetic acid?
The InChIKey is HUZDCZIRBTZJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5/c1-8-9(5-10(21-8)14(2,3)4)13(20)16-6-11(17)15-7-12(18)19/h5H,6-7H2,1-4H3,(H,15,17)(H,16,20)(H,18,19).
What are the key properties of 2-[[2-[(5-tert-butyl-2-methylfuran-3-carbonyl)amino]acetyl]amino]acetic acid?
2-[[2-[(5-tert-butyl-2-methylfuran-3-carbonyl)amino]acetyl]amino]acetic acid has a molecular weight of 296.32 g/mol, XLogP of 0.82, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(5-tert-butyl-2-methylfuran-3-carbonyl)amino]acetyl]amino]acetic acid is sourced from PubChem (CID 645395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).