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

C13H19NO5 — CID 119954509

IUPAC2-[butan-2-yl-[5-(methoxymethyl)furan-2-carbonyl]amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)c1ccc(COC)o1
InChIInChI=1S/C13H19NO5/c1-4-9(2)14(7-12(15)16)13(17)11-6-5-10(19-11)8-18-3/h5-6,9H,4,7-8H2,1-3H3,(H,15,16)
InChIKeyNHKWZQOOYISTGN-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.75
Rot. Bonds7

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

2-[butan-2-yl-[5-(methoxymethyl)furan-2-carbonyl]amino]acetic acid (PubChem CID 119954509) has the molecular formula C13H19NO5 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-[butan-2-yl-[5-(methoxymethyl)furan-2-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[butan-2-yl-[5-(methoxymethyl)furan-2-carbonyl]amino]acetic acid
PubChem CID119954509
Molecular FormulaC13H19NO5
Molecular Weight269.30 g/mol
Exact Mass269.13
IUPAC Name2-[butan-2-yl-[5-(methoxymethyl)furan-2-carbonyl]amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)c1ccc(COC)o1
InChIInChI=1S/C13H19NO5/c1-4-9(2)14(7-12(15)16)13(17)11-6-5-10(19-11)8-18-3/h5-6,9H,4,7-8H2,1-3H3,(H,15,16)
InChIKeyNHKWZQOOYISTGN-UHFFFAOYSA-N
XLogP1.75
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[butan-2-yl-(5-ethylfuran-2-carbonyl)amino]acetic acid
CID 60829213
2-[butan-2-yl-[5-(4-fluorophenyl)furan-2-carbonyl]amino]acetic acid
CID 119954940
N-ethyl-5-(methoxymethyl)-N-(2-methylpropyl)furan-2-carboxamide
CID 86926941
2-[butan-2-yl-[5-(methylsulfamoyl)furan-2-carbonyl]amino]acetic acid
CID 119954468
5-(methoxymethyl)-N-methyl-N-(3-methylbutyl)furan-2-carboxamide
CID 78853341
5-(methoxymethyl)furan-2-carbonyl chloride
CID 45081463
5-(methoxymethyl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylfuran-2-carboxamide
CID 78852151
N-(2-hydroxy-2,3-dimethylpentyl)-5-(methoxymethyl)furan-2-carboxamide
CID 111446484
N-[(2R)-2-(ethylamino)propyl]-5-(methoxymethyl)furan-2-carboxamide
CID 120650443
2-[butan-2-yl-(5-methylfuro[3,2-b]pyridine-2-carbonyl)amino]acetic acid
CID 119954457
2-[5-(methoxymethyl)furan-2-yl]-2-oxoacetyl chloride
CID 45080964
N-(2-aminoethyl)-5-(methoxymethyl)-N-(2-phenylethyl)furan-2-carboxamide
CID 120885996

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl-[5-(methoxymethyl)furan-2-carbonyl]amino]acetic acid?
The IUPAC name of 2-[butan-2-yl-[5-(methoxymethyl)furan-2-carbonyl]amino]acetic acid (CID 119954509) is 2-[butan-2-yl-[5-(methoxymethyl)furan-2-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[butan-2-yl-[5-(methoxymethyl)furan-2-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[butan-2-yl-[5-(methoxymethyl)furan-2-carbonyl]amino]acetic acid is CCC(C)N(CC(=O)O)C(=O)c1ccc(COC)o1.
What is the InChIKey of 2-[butan-2-yl-[5-(methoxymethyl)furan-2-carbonyl]amino]acetic acid?
The InChIKey is NHKWZQOOYISTGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO5/c1-4-9(2)14(7-12(15)16)13(17)11-6-5-10(19-11)8-18-3/h5-6,9H,4,7-8H2,1-3H3,(H,15,16).
What are the key properties of 2-[butan-2-yl-[5-(methoxymethyl)furan-2-carbonyl]amino]acetic acid?
2-[butan-2-yl-[5-(methoxymethyl)furan-2-carbonyl]amino]acetic acid has a molecular weight of 269.30 g/mol, XLogP of 1.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl-[5-(methoxymethyl)furan-2-carbonyl]amino]acetic acid is sourced from PubChem (CID 119954509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).