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

C13H20N2O4 — CID 65263837

IUPAC2-methyl-2-[[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]amino]propanoic acid
SMILESCc1ccc(CN(C)C(=O)CNC(C)(C)C(=O)O)o1
InChIInChI=1S/C13H20N2O4/c1-9-5-6-10(19-9)8-15(4)11(16)7-14-13(2,3)12(17)18/h5-6,14H,7-8H2,1-4H3,(H,17,18)
InChIKeyXMSNDFJMGWNHBF-UHFFFAOYSA-N
MW268.31 g/mol
LogP1.00
Rot. Bonds6

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

2-methyl-2-[[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]amino]propanoic acid (PubChem CID 65263837) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is 2-methyl-2-[[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]amino]propanoic acid
PubChem CID65263837
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name2-methyl-2-[[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]amino]propanoic acid
SMILESCc1ccc(CN(C)C(=O)CNC(C)(C)C(=O)O)o1
InChIInChI=1S/C13H20N2O4/c1-9-5-6-10(19-9)8-15(4)11(16)7-14-13(2,3)12(17)18/h5-6,14H,7-8H2,1-4H3,(H,17,18)
InChIKeyXMSNDFJMGWNHBF-UHFFFAOYSA-N
XLogP1.00
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]amino]propanoic acid
CID 83195169
2-methyl-4-[methyl-[(5-methylfuran-2-yl)methyl]amino]-4-oxo-2-propan-2-ylbutanoic acid
CID 43526164
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(prop-2-ynylamino)acetamide
CID 78915164
2-[ethyl-[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]amino]-2-methylpropanoic acid
CID 62821164
2-(2-benzylanilino)-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 78822177
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(2-methylphenyl)acetamide
CID 78791590
tert-butyl 4-[methyl-[(5-methylfuran-2-yl)methyl]amino]-4-oxobutanoate
CID 106707019
methyl-[(5-methylfuran-2-yl)methyl]carbamothioic S-acid
CID 115170193
3-[tert-butyl-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]amino]propanoic acid
CID 61199602
3-amino-1-methyl-1-[(5-methylfuran-2-yl)methyl]urea
CID 115192836
N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-(propan-2-ylamino)propanamide
CID 60852335
2-fluoro-N-[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]benzamide
CID 31151745

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]amino]propanoic acid?
The IUPAC name of 2-methyl-2-[[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]amino]propanoic acid (CID 65263837) is 2-methyl-2-[[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]amino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]amino]propanoic acid?
The canonical SMILES for 2-methyl-2-[[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]amino]propanoic acid is Cc1ccc(CN(C)C(=O)CNC(C)(C)C(=O)O)o1.
What is the InChIKey of 2-methyl-2-[[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]amino]propanoic acid?
The InChIKey is XMSNDFJMGWNHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-9-5-6-10(19-9)8-15(4)11(16)7-14-13(2,3)12(17)18/h5-6,14H,7-8H2,1-4H3,(H,17,18).
What are the key properties of 2-methyl-2-[[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]amino]propanoic acid?
2-methyl-2-[[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]amino]propanoic acid has a molecular weight of 268.31 g/mol, XLogP of 1.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]amino]propanoic acid is sourced from PubChem (CID 65263837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).