2-methyl-2-[methyl-[1-(5-methylfuran-2-yl)ethylcarbamoyl]amino]propanoic acid

C13H20N2O4 — CID 62821673

IUPAC2-methyl-2-[methyl-[1-(5-methylfuran-2-yl)ethylcarbamoyl]amino]propanoic acid
SMILESCc1ccc(C(C)NC(=O)N(C)C(C)(C)C(=O)O)o1
InChIInChI=1S/C13H20N2O4/c1-8-6-7-10(19-8)9(2)14-12(18)15(5)13(3,4)11(16)17/h6-7,9H,1-5H3,(H,14,18)(H,16,17)
InChIKeyIOWJNFKPQXIKQY-UHFFFAOYSA-N
MW268.31 g/mol
LogP2.15
Rot. Bonds4

About 2-methyl-2-[methyl-[1-(5-methylfuran-2-yl)ethylcarbamoyl]amino]propanoic acid

2-methyl-2-[methyl-[1-(5-methylfuran-2-yl)ethylcarbamoyl]amino]propanoic acid (PubChem CID 62821673) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is 2-methyl-2-[methyl-[1-(5-methylfuran-2-yl)ethylcarbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[methyl-[1-(5-methylfuran-2-yl)ethylcarbamoyl]amino]propanoic acid
PubChem CID62821673
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name2-methyl-2-[methyl-[1-(5-methylfuran-2-yl)ethylcarbamoyl]amino]propanoic acid
SMILESCc1ccc(C(C)NC(=O)N(C)C(C)(C)C(=O)O)o1
InChIInChI=1S/C13H20N2O4/c1-8-6-7-10(19-8)9(2)14-12(18)15(5)13(3,4)11(16)17/h6-7,9H,1-5H3,(H,14,18)(H,16,17)
InChIKeyIOWJNFKPQXIKQY-UHFFFAOYSA-N
XLogP2.15
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]propanamide
CID 104936607
2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 79241574
2-[1-(5-methylfuran-2-yl)ethylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79263950
2,2,2-trifluoro-N-[1-(5-methylfuran-2-yl)ethyl]acetamide
CID 62491445
(2R)-2-amino-3,3-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]butanamide
CID 103928680
2-ethyl-2-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]butanoic acid
CID 79803748
2-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]propanoic acid
CID 54958457
2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 62822382
2,3-dimethyl-4-[1-(5-methylfuran-2-yl)ethylamino]-4-oxobut-2-enoic acid
CID 76993202
1-methyl-3-[1-(5-methylfuran-2-yl)ethyl]-1-[2-(4-methylphenoxy)ethyl]urea
CID 87000120
2-[acetyl(methyl)amino]-N-[1-(5-methylfuran-2-yl)ethyl]acetamide
CID 47025995
N-[1-(5-methylfuran-2-yl)ethyl]prop-2-enamide
CID 43697663

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[methyl-[1-(5-methylfuran-2-yl)ethylcarbamoyl]amino]propanoic acid?
The IUPAC name of 2-methyl-2-[methyl-[1-(5-methylfuran-2-yl)ethylcarbamoyl]amino]propanoic acid (CID 62821673) is 2-methyl-2-[methyl-[1-(5-methylfuran-2-yl)ethylcarbamoyl]amino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[methyl-[1-(5-methylfuran-2-yl)ethylcarbamoyl]amino]propanoic acid?
The canonical SMILES for 2-methyl-2-[methyl-[1-(5-methylfuran-2-yl)ethylcarbamoyl]amino]propanoic acid is Cc1ccc(C(C)NC(=O)N(C)C(C)(C)C(=O)O)o1.
What is the InChIKey of 2-methyl-2-[methyl-[1-(5-methylfuran-2-yl)ethylcarbamoyl]amino]propanoic acid?
The InChIKey is IOWJNFKPQXIKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-8-6-7-10(19-8)9(2)14-12(18)15(5)13(3,4)11(16)17/h6-7,9H,1-5H3,(H,14,18)(H,16,17).
What are the key properties of 2-methyl-2-[methyl-[1-(5-methylfuran-2-yl)ethylcarbamoyl]amino]propanoic acid?
2-methyl-2-[methyl-[1-(5-methylfuran-2-yl)ethylcarbamoyl]amino]propanoic acid has a molecular weight of 268.31 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[methyl-[1-(5-methylfuran-2-yl)ethylcarbamoyl]amino]propanoic acid is sourced from PubChem (CID 62821673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).