2-[ethyl-[(1-methoxy-1-oxopropan-2-yl)carbamoyl]amino]-2-methylpropanoic acid

C11H20N2O5 — CID 55123852

IUPAC2-[ethyl-[(1-methoxy-1-oxopropan-2-yl)carbamoyl]amino]-2-methylpropanoic acid
SMILESCCN(C(=O)NC(C)C(=O)OC)C(C)(C)C(=O)O
InChIInChI=1S/C11H20N2O5/c1-6-13(11(3,4)9(15)16)10(17)12-7(2)8(14)18-5/h7H,6H2,1-5H3,(H,12,17)(H,15,16)
InChIKeyGUPSSTUOXLFCIP-UHFFFAOYSA-N
MW260.29 g/mol
LogP0.44
Rot. Bonds5

About 2-[ethyl-[(1-methoxy-1-oxopropan-2-yl)carbamoyl]amino]-2-methylpropanoic acid

2-[ethyl-[(1-methoxy-1-oxopropan-2-yl)carbamoyl]amino]-2-methylpropanoic acid (PubChem CID 55123852) has the molecular formula C11H20N2O5 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-[ethyl-[(1-methoxy-1-oxopropan-2-yl)carbamoyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[ethyl-[(1-methoxy-1-oxopropan-2-yl)carbamoyl]amino]-2-methylpropanoic acid
PubChem CID55123852
Molecular FormulaC11H20N2O5
Molecular Weight260.29 g/mol
Exact Mass260.14
IUPAC Name2-[ethyl-[(1-methoxy-1-oxopropan-2-yl)carbamoyl]amino]-2-methylpropanoic acid
SMILESCCN(C(=O)NC(C)C(=O)OC)C(C)(C)C(=O)O
InChIInChI=1S/C11H20N2O5/c1-6-13(11(3,4)9(15)16)10(17)12-7(2)8(14)18-5/h7H,6H2,1-5H3,(H,12,17)(H,15,16)
InChIKeyGUPSSTUOXLFCIP-UHFFFAOYSA-N
XLogP0.44
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[ethyl-[(1-methoxy-4-methyl-1-oxopentan-2-yl)carbamoyl]amino]-2-methylpropanoic acid
CID 62822221
2-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoyl-ethylamino]-2-methylpropanoic acid
CID 62822020
2-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoyl-ethylamino]-2-methylpropanoic acid
CID 114167559
methyl 2-(dipropylcarbamoylamino)propanoate
CID 3752223
2-[tert-butyl-[(1-ethoxy-1-oxopropan-2-yl)carbamoyl]amino]acetic acid
CID 79257258
2-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoyl-ethylamino]-2-methylpropanoic acid
CID 62822672
2-[ethyl(1-pyrazol-1-ylpropan-2-ylcarbamoyl)amino]-2-methylpropanoic acid
CID 62821496
2-[ethyl(4-methoxybutylcarbamoyl)amino]-2-methylpropanoic acid
CID 55123707
2-[ethyl-[(1-propan-2-ylcyclopropyl)methylcarbamoyl]amino]-2-methylpropanoic acid
CID 114114333
2-[1-(2,5-dimethylfuran-3-yl)ethylcarbamoyl-ethylamino]-2-methylpropanoic acid
CID 62820644
2-[ethyl-(2-methoxyacetyl)amino]-2-methylpropanoic acid
CID 62823516
2-[ethyl(3-methylpentanoyl)amino]-2-methylpropanoic acid
CID 114873698

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[(1-methoxy-1-oxopropan-2-yl)carbamoyl]amino]-2-methylpropanoic acid?
The IUPAC name of 2-[ethyl-[(1-methoxy-1-oxopropan-2-yl)carbamoyl]amino]-2-methylpropanoic acid (CID 55123852) is 2-[ethyl-[(1-methoxy-1-oxopropan-2-yl)carbamoyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[ethyl-[(1-methoxy-1-oxopropan-2-yl)carbamoyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[ethyl-[(1-methoxy-1-oxopropan-2-yl)carbamoyl]amino]-2-methylpropanoic acid is CCN(C(=O)NC(C)C(=O)OC)C(C)(C)C(=O)O.
What is the InChIKey of 2-[ethyl-[(1-methoxy-1-oxopropan-2-yl)carbamoyl]amino]-2-methylpropanoic acid?
The InChIKey is GUPSSTUOXLFCIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O5/c1-6-13(11(3,4)9(15)16)10(17)12-7(2)8(14)18-5/h7H,6H2,1-5H3,(H,12,17)(H,15,16).
What are the key properties of 2-[ethyl-[(1-methoxy-1-oxopropan-2-yl)carbamoyl]amino]-2-methylpropanoic acid?
2-[ethyl-[(1-methoxy-1-oxopropan-2-yl)carbamoyl]amino]-2-methylpropanoic acid has a molecular weight of 260.29 g/mol, XLogP of 0.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[(1-methoxy-1-oxopropan-2-yl)carbamoyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 55123852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).