3-[methyl-(4-methylfuran-2-carbonyl)amino]propanoic acid

C10H13NO4 — CID 110836811

IUPAC3-[methyl-(4-methylfuran-2-carbonyl)amino]propanoic acid
SMILESCc1coc(C(=O)N(C)CCC(=O)O)c1
InChIInChI=1S/C10H13NO4/c1-7-5-8(15-6-7)10(14)11(2)4-3-9(12)13/h5-6H,3-4H2,1-2H3,(H,12,13)
InChIKeySXHKTBBTIQYYCX-UHFFFAOYSA-N
MW211.22 g/mol
LogP1.13
Rot. Bonds4

About 3-[methyl-(4-methylfuran-2-carbonyl)amino]propanoic acid

3-[methyl-(4-methylfuran-2-carbonyl)amino]propanoic acid (PubChem CID 110836811) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is 3-[methyl-(4-methylfuran-2-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[methyl-(4-methylfuran-2-carbonyl)amino]propanoic acid
PubChem CID110836811
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Name3-[methyl-(4-methylfuran-2-carbonyl)amino]propanoic acid
SMILESCc1coc(C(=O)N(C)CCC(=O)O)c1
InChIInChI=1S/C10H13NO4/c1-7-5-8(15-6-7)10(14)11(2)4-3-9(12)13/h5-6H,3-4H2,1-2H3,(H,12,13)
InChIKeySXHKTBBTIQYYCX-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

3-[(3,4-difluorophenyl)methyl-(4-methylfuran-2-carbonyl)amino]propanoic acid
CID 138029039
3-[methyl-(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoic acid
CID 20586201
5-[2-hydroxyethyl(methyl)carbamoyl]furan-3-carboxylic acid
CID 104607214
3-[methyl-(2-methylfuran-3-carbonyl)amino]propanoic acid
CID 60989961
3-[(5-bromofuran-2-carbonyl)-methylamino]propanoic acid
CID 60989511
3-[methyl-[5-(4-methylphenyl)-1,3-oxazole-4-carbonyl]amino]propanoic acid
CID 119232828
5-[5-hydroxypentyl(methyl)carbamoyl]furan-3-carboxylic acid
CID 107201888
5-[2-cyanoethyl(methyl)carbamoyl]furan-3-carboxylic acid
CID 104607071
3-[(4-ethylbenzoyl)-methylamino]propanoic acid
CID 60989059
4-[methyl(1,3-oxazole-5-carbonyl)amino]butanoic acid
CID 110835484
3-[[4-[(dimethylamino)methyl]benzoyl]-methylamino]propanoic acid
CID 60989210
3-[methyl-(4-methylsulfanylbenzoyl)amino]propanoic acid
CID 60989458

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-(4-methylfuran-2-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[methyl-(4-methylfuran-2-carbonyl)amino]propanoic acid (CID 110836811) is 3-[methyl-(4-methylfuran-2-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[methyl-(4-methylfuran-2-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[methyl-(4-methylfuran-2-carbonyl)amino]propanoic acid is Cc1coc(C(=O)N(C)CCC(=O)O)c1.
What is the InChIKey of 3-[methyl-(4-methylfuran-2-carbonyl)amino]propanoic acid?
The InChIKey is SXHKTBBTIQYYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4/c1-7-5-8(15-6-7)10(14)11(2)4-3-9(12)13/h5-6H,3-4H2,1-2H3,(H,12,13).
What are the key properties of 3-[methyl-(4-methylfuran-2-carbonyl)amino]propanoic acid?
3-[methyl-(4-methylfuran-2-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-(4-methylfuran-2-carbonyl)amino]propanoic acid is sourced from PubChem (CID 110836811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).