2-[ethyl-[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]acetic acid

C11H20N2O5 — CID 55209009

IUPAC2-[ethyl-[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)N(CC(=O)OC)C(C)C
InChIInChI=1S/C11H20N2O5/c1-5-12(6-9(14)15)11(17)13(8(2)3)7-10(16)18-4/h8H,5-7H2,1-4H3,(H,14,15)
InChIKeyBXCSVKPELKABFZ-UHFFFAOYSA-N
MW260.29 g/mol
LogP0.40
Rot. Bonds6

About 2-[ethyl-[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]acetic acid

2-[ethyl-[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]acetic acid (PubChem CID 55209009) has the molecular formula C11H20N2O5 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-[ethyl-[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]acetic acid
PubChem CID55209009
Molecular FormulaC11H20N2O5
Molecular Weight260.29 g/mol
Exact Mass260.14
IUPAC Name2-[ethyl-[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)N(CC(=O)OC)C(C)C
InChIInChI=1S/C11H20N2O5/c1-5-12(6-9(14)15)11(17)13(8(2)3)7-10(16)18-4/h8H,5-7H2,1-4H3,(H,14,15)
InChIKeyBXCSVKPELKABFZ-UHFFFAOYSA-N
XLogP0.40
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]-prop-2-enylamino]acetic acid
CID 79275518
2-[[butan-2-yl(ethyl)carbamoyl]-ethylamino]acetic acid
CID 61198906
methyl 2-[3-methylpentanoyl(propan-2-yl)amino]acetate
CID 114875753
2-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]-propan-2-ylamino]acetic acid
CID 79385927
3-[[ethyl(2-methylprop-2-enyl)carbamoyl]-propan-2-ylamino]propanoic acid
CID 61184887
methyl 2-[3-aminopropanoyl(propan-2-yl)amino]acetate
CID 60946562
2-[bis(2-methoxy-2-oxoethyl)carbamoyl-propylamino]acetic acid
CID 62956267
methyl 2-[3,3-dimethylbutanoyl(propan-2-yl)amino]acetate
CID 60766662
methyl 2-[3-(ethylamino)butanoyl-propan-2-ylamino]acetate
CID 62838511
methyl 2-[cyclopentanecarbonyl(propan-2-yl)amino]acetate
CID 55028562
4-[[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]-4-oxobutanoic acid
CID 55006758
2-[[ethyl(1-methoxypropan-2-yl)carbamoyl]-(2-methylpropyl)amino]acetic acid
CID 63066155

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]acetic acid?
The IUPAC name of 2-[ethyl-[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]acetic acid (CID 55209009) is 2-[ethyl-[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[ethyl-[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]acetic acid?
The canonical SMILES for 2-[ethyl-[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]acetic acid is CCN(CC(=O)O)C(=O)N(CC(=O)OC)C(C)C.
What is the InChIKey of 2-[ethyl-[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]acetic acid?
The InChIKey is BXCSVKPELKABFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O5/c1-5-12(6-9(14)15)11(17)13(8(2)3)7-10(16)18-4/h8H,5-7H2,1-4H3,(H,14,15).
What are the key properties of 2-[ethyl-[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]acetic acid?
2-[ethyl-[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]acetic acid has a molecular weight of 260.29 g/mol, XLogP of 0.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]acetic acid is sourced from PubChem (CID 55209009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).