2-[butan-2-yl-(5-ethylfuran-2-carbonyl)amino]acetic acid

C13H19NO4 — CID 60829213

IUPAC2-[butan-2-yl-(5-ethylfuran-2-carbonyl)amino]acetic acid
SMILESCCc1ccc(C(=O)N(CC(=O)O)C(C)CC)o1
InChIInChI=1S/C13H19NO4/c1-4-9(3)14(8-12(15)16)13(17)11-7-6-10(5-2)18-11/h6-7,9H,4-5,8H2,1-3H3,(H,15,16)
InChIKeyWOTJPASYTJFGCL-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.17
Rot. Bonds6

About 2-[butan-2-yl-(5-ethylfuran-2-carbonyl)amino]acetic acid

2-[butan-2-yl-(5-ethylfuran-2-carbonyl)amino]acetic acid (PubChem CID 60829213) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-[butan-2-yl-(5-ethylfuran-2-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[butan-2-yl-(5-ethylfuran-2-carbonyl)amino]acetic acid
PubChem CID60829213
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Name2-[butan-2-yl-(5-ethylfuran-2-carbonyl)amino]acetic acid
SMILESCCc1ccc(C(=O)N(CC(=O)O)C(C)CC)o1
InChIInChI=1S/C13H19NO4/c1-4-9(3)14(8-12(15)16)13(17)11-7-6-10(5-2)18-11/h6-7,9H,4-5,8H2,1-3H3,(H,15,16)
InChIKeyWOTJPASYTJFGCL-UHFFFAOYSA-N
XLogP2.17
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[butan-2-yl-[5-(methoxymethyl)furan-2-carbonyl]amino]acetic acid
CID 119954509
2-[butan-2-yl-[5-(methylsulfamoyl)furan-2-carbonyl]amino]acetic acid
CID 119954468
2-[butan-2-yl-[5-(4-fluorophenyl)furan-2-carbonyl]amino]acetic acid
CID 119954940
2-[(5-ethylfuran-2-carbonyl)-propylamino]acetic acid
CID 54898860
N-(2-chloroethyl)-5-ethyl-N-propan-2-ylfuran-2-carboxamide
CID 79084661
N-(2-aminoethyl)-5-ethyl-N-pentan-3-ylfuran-2-carboxamide
CID 79084484
2-[(5-ethylfuran-2-carbonyl)-(oxan-4-yl)amino]acetic acid
CID 119211315
2-(4-chloro-N-(5-ethylfuran-2-carbonyl)anilino)acetic acid
CID 60825317
2-[butan-2-yl-(5-methylfuro[3,2-b]pyridine-2-carbonyl)amino]acetic acid
CID 119954457
2-[butan-2-yl-(3,5-dimethylbenzoyl)amino]acetic acid
CID 60828869
5-ethyl-N-methyl-N-methylsulfonylfuran-2-carboxamide
CID 71974840
2-[[5-(dimethylsulfamoyl)furan-2-carbonyl]-propan-2-ylamino]acetic acid
CID 60832389

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl-(5-ethylfuran-2-carbonyl)amino]acetic acid?
The IUPAC name of 2-[butan-2-yl-(5-ethylfuran-2-carbonyl)amino]acetic acid (CID 60829213) is 2-[butan-2-yl-(5-ethylfuran-2-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[butan-2-yl-(5-ethylfuran-2-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[butan-2-yl-(5-ethylfuran-2-carbonyl)amino]acetic acid is CCc1ccc(C(=O)N(CC(=O)O)C(C)CC)o1.
What is the InChIKey of 2-[butan-2-yl-(5-ethylfuran-2-carbonyl)amino]acetic acid?
The InChIKey is WOTJPASYTJFGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-4-9(3)14(8-12(15)16)13(17)11-7-6-10(5-2)18-11/h6-7,9H,4-5,8H2,1-3H3,(H,15,16).
What are the key properties of 2-[butan-2-yl-(5-ethylfuran-2-carbonyl)amino]acetic acid?
2-[butan-2-yl-(5-ethylfuran-2-carbonyl)amino]acetic acid has a molecular weight of 253.30 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl-(5-ethylfuran-2-carbonyl)amino]acetic acid is sourced from PubChem (CID 60829213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).