3-[ethyl-[(2-methoxy-2-oxoethyl)-propylcarbamoyl]amino]-2-methylpropanoic acid

C13H24N2O5 — CID 62853214

IUPAC3-[ethyl-[(2-methoxy-2-oxoethyl)-propylcarbamoyl]amino]-2-methylpropanoic acid
SMILESCCCN(CC(=O)OC)C(=O)N(CC)CC(C)C(=O)O
InChIInChI=1S/C13H24N2O5/c1-5-7-15(9-11(16)20-4)13(19)14(6-2)8-10(3)12(17)18/h10H,5-9H2,1-4H3,(H,17,18)
InChIKeyDBKPXHZBKLYRQD-UHFFFAOYSA-N
MW288.34 g/mol
LogP1.03
Rot. Bonds8

About 3-[ethyl-[(2-methoxy-2-oxoethyl)-propylcarbamoyl]amino]-2-methylpropanoic acid

3-[ethyl-[(2-methoxy-2-oxoethyl)-propylcarbamoyl]amino]-2-methylpropanoic acid (PubChem CID 62853214) has the molecular formula C13H24N2O5 and a molecular weight of 288.34 g/mol. Its IUPAC name is 3-[ethyl-[(2-methoxy-2-oxoethyl)-propylcarbamoyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[ethyl-[(2-methoxy-2-oxoethyl)-propylcarbamoyl]amino]-2-methylpropanoic acid
PubChem CID62853214
Molecular FormulaC13H24N2O5
Molecular Weight288.34 g/mol
Exact Mass288.17
IUPAC Name3-[ethyl-[(2-methoxy-2-oxoethyl)-propylcarbamoyl]amino]-2-methylpropanoic acid
SMILESCCCN(CC(=O)OC)C(=O)N(CC)CC(C)C(=O)O
InChIInChI=1S/C13H24N2O5/c1-5-7-15(9-11(16)20-4)13(19)14(6-2)8-10(3)12(17)18/h10H,5-9H2,1-4H3,(H,17,18)
InChIKeyDBKPXHZBKLYRQD-UHFFFAOYSA-N
XLogP1.03
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[bis(2-methoxy-2-oxoethyl)carbamoyl-propylamino]acetic acid
CID 62956267
3-[dibutylcarbamoyl(ethyl)amino]-2-methylpropanoic acid
CID 62853369
3-[ethyl-[(4-methoxy-4-oxobutyl)-methylcarbamoyl]amino]-2-methylpropanoic acid
CID 62853396
3-[ethyl-[propan-2-yl(propyl)carbamoyl]amino]-2-methylpropanoic acid
CID 62853557
3-[ethyl-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]-2-methylpropanoic acid
CID 62852484
3-[ethyl-[2-methoxyethyl(1-methoxypropan-2-yl)carbamoyl]amino]-2-methylpropanoic acid
CID 62852306
3-[ethyl-[ethyl(propan-2-yl)carbamoyl]amino]-2-methylpropanoic acid
CID 62853195
5-[(2-methoxy-2-oxoethyl)-propylamino]-3-methyl-5-oxopentanoic acid
CID 62964741
5-[[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]amino]-2-methylpentanoic acid
CID 104686477
3-[[butan-2-yl(methyl)carbamoyl]-ethylamino]-2-methylpropanoic acid
CID 62853736
3-[ethyl-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-2-methylpropanoic acid
CID 62853753
methyl 2-[3-aminobutanoyl(propyl)amino]acetate
CID 60946687

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[(2-methoxy-2-oxoethyl)-propylcarbamoyl]amino]-2-methylpropanoic acid?
The IUPAC name of 3-[ethyl-[(2-methoxy-2-oxoethyl)-propylcarbamoyl]amino]-2-methylpropanoic acid (CID 62853214) is 3-[ethyl-[(2-methoxy-2-oxoethyl)-propylcarbamoyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[ethyl-[(2-methoxy-2-oxoethyl)-propylcarbamoyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[ethyl-[(2-methoxy-2-oxoethyl)-propylcarbamoyl]amino]-2-methylpropanoic acid is CCCN(CC(=O)OC)C(=O)N(CC)CC(C)C(=O)O.
What is the InChIKey of 3-[ethyl-[(2-methoxy-2-oxoethyl)-propylcarbamoyl]amino]-2-methylpropanoic acid?
The InChIKey is DBKPXHZBKLYRQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O5/c1-5-7-15(9-11(16)20-4)13(19)14(6-2)8-10(3)12(17)18/h10H,5-9H2,1-4H3,(H,17,18).
What are the key properties of 3-[ethyl-[(2-methoxy-2-oxoethyl)-propylcarbamoyl]amino]-2-methylpropanoic acid?
3-[ethyl-[(2-methoxy-2-oxoethyl)-propylcarbamoyl]amino]-2-methylpropanoic acid has a molecular weight of 288.34 g/mol, XLogP of 1.03, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[(2-methoxy-2-oxoethyl)-propylcarbamoyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 62853214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).