2-[ethyl(furan-2-ylmethylcarbamoyl)amino]-2-methylpropanoic acid

C12H18N2O4 — CID 62822299

IUPAC2-[ethyl(furan-2-ylmethylcarbamoyl)amino]-2-methylpropanoic acid
SMILESCCN(C(=O)NCc1ccco1)C(C)(C)C(=O)O
InChIInChI=1S/C12H18N2O4/c1-4-14(12(2,3)10(15)16)11(17)13-8-9-6-5-7-18-9/h5-7H,4,8H2,1-3H3,(H,13,17)(H,15,16)
InChIKeyRIJUTPYXZFPFIV-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.67
Rot. Bonds5

About 2-[ethyl(furan-2-ylmethylcarbamoyl)amino]-2-methylpropanoic acid

2-[ethyl(furan-2-ylmethylcarbamoyl)amino]-2-methylpropanoic acid (PubChem CID 62822299) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-[ethyl(furan-2-ylmethylcarbamoyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[ethyl(furan-2-ylmethylcarbamoyl)amino]-2-methylpropanoic acid
PubChem CID62822299
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Name2-[ethyl(furan-2-ylmethylcarbamoyl)amino]-2-methylpropanoic acid
SMILESCCN(C(=O)NCc1ccco1)C(C)(C)C(=O)O
InChIInChI=1S/C12H18N2O4/c1-4-14(12(2,3)10(15)16)11(17)13-8-9-6-5-7-18-9/h5-7H,4,8H2,1-3H3,(H,13,17)(H,15,16)
InChIKeyRIJUTPYXZFPFIV-UHFFFAOYSA-N
XLogP1.67
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-N'-(furan-2-ylmethyl)-2,2-dimethylpropanediamide
CID 108961366
N-(furan-2-ylmethyl)acetamide
CID 2394850
2-(ethylamino)-N-(furan-2-ylmethyl)-2-methylpropanamide
CID 62831893
2-[ethyl-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoyl]amino]-2-methylpropanoic acid
CID 106374605
N-ethyl-2-[ethyl-[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]acetamide
CID 26519118
3-(furan-2-ylmethyl)-1-methyl-1-[(1S)-1-phenylethyl]urea
CID 51729179
2-[[ethyl(furan-2-ylmethyl)amino]methyl]-2-methylbutanoic acid
CID 55055367
2-[ethyl-[2-(furan-2-carbonylamino)propanoyl]amino]-2-methylpropanoic acid
CID 62818067
3-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]-2,2,3-trimethylbutanoic acid
CID 65266487
2-bromo-N-(furan-2-ylmethyl)butanamide
CID 25219706
4-[furan-2-ylmethylcarbamoyl(propyl)amino]oxolane-3-carboxylic acid
CID 66253468
1-[(5-chlorothiophen-2-yl)methyl]-1-ethyl-3-(furan-2-ylmethyl)urea
CID 47125656

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(furan-2-ylmethylcarbamoyl)amino]-2-methylpropanoic acid?
The IUPAC name of 2-[ethyl(furan-2-ylmethylcarbamoyl)amino]-2-methylpropanoic acid (CID 62822299) is 2-[ethyl(furan-2-ylmethylcarbamoyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[ethyl(furan-2-ylmethylcarbamoyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[ethyl(furan-2-ylmethylcarbamoyl)amino]-2-methylpropanoic acid is CCN(C(=O)NCc1ccco1)C(C)(C)C(=O)O.
What is the InChIKey of 2-[ethyl(furan-2-ylmethylcarbamoyl)amino]-2-methylpropanoic acid?
The InChIKey is RIJUTPYXZFPFIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-4-14(12(2,3)10(15)16)11(17)13-8-9-6-5-7-18-9/h5-7H,4,8H2,1-3H3,(H,13,17)(H,15,16).
What are the key properties of 2-[ethyl(furan-2-ylmethylcarbamoyl)amino]-2-methylpropanoic acid?
2-[ethyl(furan-2-ylmethylcarbamoyl)amino]-2-methylpropanoic acid has a molecular weight of 254.29 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(furan-2-ylmethylcarbamoyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 62822299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).