3-[ethyl(2-methoxypropylcarbamoyl)amino]-2-methylpropanoic acid

C11H22N2O4 — CID 102699590

IUPAC3-[ethyl(2-methoxypropylcarbamoyl)amino]-2-methylpropanoic acid
SMILESCCN(CC(C)C(=O)O)C(=O)NCC(C)OC
InChIInChI=1S/C11H22N2O4/c1-5-13(7-8(2)10(14)15)11(16)12-6-9(3)17-4/h8-9H,5-7H2,1-4H3,(H,12,16)(H,14,15)
InChIKeyCSUVSCFTPGUJLE-UHFFFAOYSA-N
MW246.31 g/mol
LogP0.77
Rot. Bonds7

About 3-[ethyl(2-methoxypropylcarbamoyl)amino]-2-methylpropanoic acid

3-[ethyl(2-methoxypropylcarbamoyl)amino]-2-methylpropanoic acid (PubChem CID 102699590) has the molecular formula C11H22N2O4 and a molecular weight of 246.31 g/mol. Its IUPAC name is 3-[ethyl(2-methoxypropylcarbamoyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[ethyl(2-methoxypropylcarbamoyl)amino]-2-methylpropanoic acid
PubChem CID102699590
Molecular FormulaC11H22N2O4
Molecular Weight246.31 g/mol
Exact Mass246.16
IUPAC Name3-[ethyl(2-methoxypropylcarbamoyl)amino]-2-methylpropanoic acid
SMILESCCN(CC(C)C(=O)O)C(=O)NCC(C)OC
InChIInChI=1S/C11H22N2O4/c1-5-13(7-8(2)10(14)15)11(16)12-6-9(3)17-4/h8-9H,5-7H2,1-4H3,(H,12,16)(H,14,15)
InChIKeyCSUVSCFTPGUJLE-UHFFFAOYSA-N
XLogP0.77
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[ethyl(3-methylbutylcarbamoyl)amino]-2-methylpropanoic acid
CID 62852278
3-[ethyl-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]-2-methylpropanoic acid
CID 62854096
3-[ethyl(3-methylsulfanylbutylcarbamoyl)amino]-2-methylpropanoic acid
CID 113494161
3-[ethyl-[[2-oxo-2-(propylamino)ethyl]carbamoyl]amino]-2-methylpropanoic acid
CID 55123161
3-[[2-(tert-butylamino)-2-oxoethyl]carbamoyl-ethylamino]-2-methylpropanoic acid
CID 115356740
3-[ethyl-[2-(methanesulfonamido)ethylcarbamoyl]amino]-2-methylpropanoic acid
CID 62853197
3-[ethyl(5-methylsulfanylpentylcarbamoyl)amino]-2-methylpropanoic acid
CID 114128529
3-[2-cyclopentyloxyethylcarbamoyl(ethyl)amino]-2-methylpropanoic acid
CID 63834760
3-[[(2-amino-2-oxoethyl)-ethylcarbamoyl]amino]-2-methylpropanoic acid
CID 103103591
3-(dipropylcarbamoylamino)-2-methylpropanoic acid
CID 62668824
3-[ethyl-[2-(4-fluorophenyl)ethylcarbamoyl]amino]-2-methylpropanoic acid
CID 62854086
3-[ethyl(thiolan-2-ylmethylcarbamoyl)amino]-2-methylpropanoic acid
CID 80586606

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(2-methoxypropylcarbamoyl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[ethyl(2-methoxypropylcarbamoyl)amino]-2-methylpropanoic acid (CID 102699590) is 3-[ethyl(2-methoxypropylcarbamoyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[ethyl(2-methoxypropylcarbamoyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[ethyl(2-methoxypropylcarbamoyl)amino]-2-methylpropanoic acid is CCN(CC(C)C(=O)O)C(=O)NCC(C)OC.
What is the InChIKey of 3-[ethyl(2-methoxypropylcarbamoyl)amino]-2-methylpropanoic acid?
The InChIKey is CSUVSCFTPGUJLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4/c1-5-13(7-8(2)10(14)15)11(16)12-6-9(3)17-4/h8-9H,5-7H2,1-4H3,(H,12,16)(H,14,15).
What are the key properties of 3-[ethyl(2-methoxypropylcarbamoyl)amino]-2-methylpropanoic acid?
3-[ethyl(2-methoxypropylcarbamoyl)amino]-2-methylpropanoic acid has a molecular weight of 246.31 g/mol, XLogP of 0.77, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(2-methoxypropylcarbamoyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 102699590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).