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

C10H13NO4 — CID 60989961

IUPAC3-[methyl-(2-methylfuran-3-carbonyl)amino]propanoic acid
SMILESCc1occc1C(=O)N(C)CCC(=O)O
InChIInChI=1S/C10H13NO4/c1-7-8(4-6-15-7)10(14)11(2)5-3-9(12)13/h4,6H,3,5H2,1-2H3,(H,12,13)
InChIKeyYLPKNIHHDWYUES-UHFFFAOYSA-N
MW211.22 g/mol
LogP1.13
Rot. Bonds4

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

3-[methyl-(2-methylfuran-3-carbonyl)amino]propanoic acid (PubChem CID 60989961) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is 3-[methyl-(2-methylfuran-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[methyl-(2-methylfuran-3-carbonyl)amino]propanoic acid
PubChem CID60989961
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Name3-[methyl-(2-methylfuran-3-carbonyl)amino]propanoic acid
SMILESCc1occc1C(=O)N(C)CCC(=O)O
InChIInChI=1S/C10H13NO4/c1-7-8(4-6-15-7)10(14)11(2)5-3-9(12)13/h4,6H,3,5H2,1-2H3,(H,12,13)
InChIKeyYLPKNIHHDWYUES-UHFFFAOYSA-N
XLogP1.13
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-hydroxypentyl)-N,2-dimethylfuran-3-carboxamide
CID 107202593
N-(5-chloropentyl)-N,2-dimethylfuran-3-carboxamide
CID 107205486
3-[2-methoxyethyl-(2-methylfuran-3-carbonyl)amino]propanoic acid
CID 5103103
3-[(2-methylfuran-3-carbonyl)-(oxan-4-yl)amino]propanoic acid
CID 119212251
4-[(2-methylfuran-3-carbonyl)amino]butanoic acid
CID 16777160
N-(2-aminopropyl)-N,2-dimethylfuran-3-carboxamide
CID 63755935
N-[2-(butylamino)-2-oxoethyl]-N,2-dimethylfuran-3-carboxamide
CID 56758649
3-[[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]amino]propanoic acid
CID 61424514
2-[(2-methylfuran-3-carbonyl)-propan-2-ylamino]acetic acid
CID 60832013
5-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-5-oxopentanoic acid
CID 5103163
3-[(2,4-dihydroxybenzoyl)-methylamino]propanoic acid
CID 60989735
3-[methyl-(4-methylfuran-2-carbonyl)amino]propanoic acid
CID 110836811

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-(2-methylfuran-3-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[methyl-(2-methylfuran-3-carbonyl)amino]propanoic acid (CID 60989961) is 3-[methyl-(2-methylfuran-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[methyl-(2-methylfuran-3-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[methyl-(2-methylfuran-3-carbonyl)amino]propanoic acid is Cc1occc1C(=O)N(C)CCC(=O)O.
What is the InChIKey of 3-[methyl-(2-methylfuran-3-carbonyl)amino]propanoic acid?
The InChIKey is YLPKNIHHDWYUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4/c1-7-8(4-6-15-7)10(14)11(2)5-3-9(12)13/h4,6H,3,5H2,1-2H3,(H,12,13).
What are the key properties of 3-[methyl-(2-methylfuran-3-carbonyl)amino]propanoic acid?
3-[methyl-(2-methylfuran-3-carbonyl)amino]propanoic acid has a molecular weight of 211.22 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-(2-methylfuran-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 60989961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).