2-[methyl-(5-methylfuran-3-carbonyl)amino]acetic acid

C9H11NO4 — CID 114818756

IUPAC2-[methyl-(5-methylfuran-3-carbonyl)amino]acetic acid
SMILESCc1cc(C(=O)N(C)CC(=O)O)co1
InChIInChI=1S/C9H11NO4/c1-6-3-7(5-14-6)9(13)10(2)4-8(11)12/h3,5H,4H2,1-2H3,(H,11,12)
InChIKeyQOIKKDCGYNHUCG-UHFFFAOYSA-N
MW197.19 g/mol
LogP0.74
Rot. Bonds3

About 2-[methyl-(5-methylfuran-3-carbonyl)amino]acetic acid

2-[methyl-(5-methylfuran-3-carbonyl)amino]acetic acid (PubChem CID 114818756) has the molecular formula C9H11NO4 and a molecular weight of 197.19 g/mol. Its IUPAC name is 2-[methyl-(5-methylfuran-3-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-(5-methylfuran-3-carbonyl)amino]acetic acid
PubChem CID114818756
Molecular FormulaC9H11NO4
Molecular Weight197.19 g/mol
Exact Mass197.07
IUPAC Name2-[methyl-(5-methylfuran-3-carbonyl)amino]acetic acid
SMILESCc1cc(C(=O)N(C)CC(=O)O)co1
InChIInChI=1S/C9H11NO4/c1-6-3-7(5-14-6)9(13)10(2)4-8(11)12/h3,5H,4H2,1-2H3,(H,11,12)
InChIKeyQOIKKDCGYNHUCG-UHFFFAOYSA-N
XLogP0.74
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(furan-2-yl)methyl]-2-methylfuran-3-carboxamide
CID 845080
4-(2,5-Dimethyl-3-furoyl)morpholine
CID 831995
2-[(2,5-Dimethylfuran-3-yl)formamido]acetic acid
CID 1085174
1-[(Furan-2-yl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 2777280
1-(2,5-Dimethylfuran-3-carbonyl)piperidine-4-carboxylic acid
CID 2813437
(2,5-Dimethylfuran-3-yl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 4573434
5-{[(5-Methyl-furan-3-carbonyl)-amino]-methyl}-furan-3-carboxylic acid
CID 573327
1-{[5-Methyl-2-(trifluoromethyl)-3-furyl]carbonyl}-4-piperidinecarboxylic acid
CID 2813436
1-(2,5-Dimethyl-furan-3-carbonyl)-pyrrolidine-2-carboxylic acid
CID 579189
methyl 1-(furan-2-ylmethyl)-5-methyl-2-oxo-3H-pyrrole-4-carboxylate
CID 671089
2-[(2-Methyl-furan-3-carbonyl)-amino]-4-methylsulfanylbutyric acid
CID 3116863
2-({4-[(Carboxymethyl)carbamoyl]-2,5-dimethylfuran-3-yl}formamido)acetic acid
CID 3155633

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(5-methylfuran-3-carbonyl)amino]acetic acid?
The IUPAC name of 2-[methyl-(5-methylfuran-3-carbonyl)amino]acetic acid (CID 114818756) is 2-[methyl-(5-methylfuran-3-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[methyl-(5-methylfuran-3-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[methyl-(5-methylfuran-3-carbonyl)amino]acetic acid is Cc1cc(C(=O)N(C)CC(=O)O)co1.
What is the InChIKey of 2-[methyl-(5-methylfuran-3-carbonyl)amino]acetic acid?
The InChIKey is QOIKKDCGYNHUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO4/c1-6-3-7(5-14-6)9(13)10(2)4-8(11)12/h3,5H,4H2,1-2H3,(H,11,12).
What are the key properties of 2-[methyl-(5-methylfuran-3-carbonyl)amino]acetic acid?
2-[methyl-(5-methylfuran-3-carbonyl)amino]acetic acid has a molecular weight of 197.19 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(5-methylfuran-3-carbonyl)amino]acetic acid is sourced from PubChem (CID 114818756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).