4-[(5-methylfuran-2-carbonyl)amino]butanoic acid

C10H13NO4 — CID 573299

IUPAC4-[(5-methylfuran-2-carbonyl)amino]butanoic acid
SMILESCc1ccc(C(=O)NCCCC(=O)O)o1
InChIInChI=1S/C10H13NO4/c1-7-4-5-8(15-7)10(14)11-6-2-3-9(12)13/h4-5H,2-3,6H2,1H3,(H,11,14)(H,12,13)
InChIKeyDBFNKBJGONJPCB-UHFFFAOYSA-N
MW211.22 g/mol
LogP1.18
Rot. Bonds5

About 4-[(5-methylfuran-2-carbonyl)amino]butanoic acid

4-[(5-methylfuran-2-carbonyl)amino]butanoic acid (PubChem CID 573299) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is 4-[(5-methylfuran-2-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[(5-methylfuran-2-carbonyl)amino]butanoic acid
PubChem CID573299
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Name4-[(5-methylfuran-2-carbonyl)amino]butanoic acid
SMILESCc1ccc(C(=O)NCCCC(=O)O)o1
InChIInChI=1S/C10H13NO4/c1-7-4-5-8(15-7)10(14)11-6-2-3-9(12)13/h4-5H,2-3,6H2,1H3,(H,11,14)(H,12,13)
InChIKeyDBFNKBJGONJPCB-UHFFFAOYSA-N
XLogP1.18
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-Furoyl)Glycine
CID 21863
3-[(5-Bromo-furan-2-carbonyl)-amino]-propionic acid
CID 655116
1-(5-Methylfuran-2-carbonyl)piperidine-2-carboxylic acid
CID 573285
N-(2-Furoyl)glycine methyl ester
CID 518748
N,N'-1,2-ethanediylbis(5-methyl-2-furamide)
CID 1769743
5-(Hydroxymethyl-2-furoyl)glycine
CID 6537488
2-[(Furan-2-carbonyl)-amino]-propionic acid
CID 2827446
2-[1-(furan-2-yl)-N-methylformamido]acetic acid
CID 784792
(2S)-2-[(5-formylfuran-2-yl)formamido]-3-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]butanamide
CID 23653741
Furoyl-Leucine
CID 774282
2-((5-Methylfuran-2-carbonyl)amino)acetic acid
CID 178938
2-{2-[(Furan-2-carbonyl)-amino]-3-furan-2-yl-acryloylamino}-propionic acid
CID 5765716

Frequently Asked Questions

What is the IUPAC name of 4-[(5-methylfuran-2-carbonyl)amino]butanoic acid?
The IUPAC name of 4-[(5-methylfuran-2-carbonyl)amino]butanoic acid (CID 573299) is 4-[(5-methylfuran-2-carbonyl)amino]butanoic acid.
What is the SMILES notation for 4-[(5-methylfuran-2-carbonyl)amino]butanoic acid?
The canonical SMILES for 4-[(5-methylfuran-2-carbonyl)amino]butanoic acid is Cc1ccc(C(=O)NCCCC(=O)O)o1.
What is the InChIKey of 4-[(5-methylfuran-2-carbonyl)amino]butanoic acid?
The InChIKey is DBFNKBJGONJPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4/c1-7-4-5-8(15-7)10(14)11-6-2-3-9(12)13/h4-5H,2-3,6H2,1H3,(H,11,14)(H,12,13).
What are the key properties of 4-[(5-methylfuran-2-carbonyl)amino]butanoic acid?
4-[(5-methylfuran-2-carbonyl)amino]butanoic acid has a molecular weight of 211.22 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methylfuran-2-carbonyl)amino]butanoic acid is sourced from PubChem (CID 573299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).