3-methoxy-4-[(2,4,5-trimethylfuran-3-carbonyl)amino]butanoic acid

C13H19NO5 — CID 103153260

IUPAC3-methoxy-4-[(2,4,5-trimethylfuran-3-carbonyl)amino]butanoic acid
SMILESCOC(CNC(=O)c1c(C)oc(C)c1C)CC(=O)O
InChIInChI=1S/C13H19NO5/c1-7-8(2)19-9(3)12(7)13(17)14-6-10(18-4)5-11(15)16/h10H,5-6H2,1-4H3,(H,14,17)(H,15,16)
InChIKeyKYRXCHBNSYVZSC-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.42
Rot. Bonds6

About 3-methoxy-4-[(2,4,5-trimethylfuran-3-carbonyl)amino]butanoic acid

3-methoxy-4-[(2,4,5-trimethylfuran-3-carbonyl)amino]butanoic acid (PubChem CID 103153260) has the molecular formula C13H19NO5 and a molecular weight of 269.30 g/mol. Its IUPAC name is 3-methoxy-4-[(2,4,5-trimethylfuran-3-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name3-methoxy-4-[(2,4,5-trimethylfuran-3-carbonyl)amino]butanoic acid
PubChem CID103153260
Molecular FormulaC13H19NO5
Molecular Weight269.30 g/mol
Exact Mass269.13
IUPAC Name3-methoxy-4-[(2,4,5-trimethylfuran-3-carbonyl)amino]butanoic acid
SMILESCOC(CNC(=O)c1c(C)oc(C)c1C)CC(=O)O
InChIInChI=1S/C13H19NO5/c1-7-8(2)19-9(3)12(7)13(17)14-6-10(18-4)5-11(15)16/h10H,5-6H2,1-4H3,(H,14,17)(H,15,16)
InChIKeyKYRXCHBNSYVZSC-UHFFFAOYSA-N
XLogP1.42
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloro-3-methoxypropyl)-2,4,5-trimethylfuran-3-carboxamide
CID 114298846
4-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-3-methoxybutanoic acid
CID 103153138
3-methoxy-4-[(2,4,6-trifluorobenzoyl)amino]butanoic acid
CID 103153081
4-[(2,4-dimethyl-6-methylsulfanylpyrimidine-5-carbonyl)amino]-3-methoxybutanoic acid
CID 103152929
3-methoxy-4-[(3-methylfuran-2-carbonyl)amino]butanoic acid
CID 103152988
4-[bis(2-methoxyethyl)carbamoylamino]-3-methoxybutanoic acid
CID 103158774
3-methoxy-4-[(5-methyl-1H-1,2,4-triazole-3-carbonyl)amino]butanoic acid
CID 103152362
1-[[(2,4,5-trimethylfuran-3-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 113312008
4-amino-4-oxo-2-[(2,4,5-trimethylfuran-3-carbonyl)amino]butanoic acid
CID 43357141
3-methoxy-4-[[4-(methylsulfanylmethyl)benzoyl]amino]butanoic acid
CID 103153355
4-[(4-bromo-3-methylbenzoyl)amino]-3-methoxybutanoic acid
CID 103152378
3-methoxy-4-[[2-(3-methoxy-4-methylphenyl)acetyl]amino]butanoic acid
CID 103153347

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-[(2,4,5-trimethylfuran-3-carbonyl)amino]butanoic acid?
The IUPAC name of 3-methoxy-4-[(2,4,5-trimethylfuran-3-carbonyl)amino]butanoic acid (CID 103153260) is 3-methoxy-4-[(2,4,5-trimethylfuran-3-carbonyl)amino]butanoic acid.
What is the SMILES notation for 3-methoxy-4-[(2,4,5-trimethylfuran-3-carbonyl)amino]butanoic acid?
The canonical SMILES for 3-methoxy-4-[(2,4,5-trimethylfuran-3-carbonyl)amino]butanoic acid is COC(CNC(=O)c1c(C)oc(C)c1C)CC(=O)O.
What is the InChIKey of 3-methoxy-4-[(2,4,5-trimethylfuran-3-carbonyl)amino]butanoic acid?
The InChIKey is KYRXCHBNSYVZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO5/c1-7-8(2)19-9(3)12(7)13(17)14-6-10(18-4)5-11(15)16/h10H,5-6H2,1-4H3,(H,14,17)(H,15,16).
What are the key properties of 3-methoxy-4-[(2,4,5-trimethylfuran-3-carbonyl)amino]butanoic acid?
3-methoxy-4-[(2,4,5-trimethylfuran-3-carbonyl)amino]butanoic acid has a molecular weight of 269.30 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-[(2,4,5-trimethylfuran-3-carbonyl)amino]butanoic acid is sourced from PubChem (CID 103153260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).