2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]-4-methoxy-2-methylbutanoic acid

C11H22N2O4 — CID 114999475

IUPAC2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]-4-methoxy-2-methylbutanoic acid
SMILESCCNC(=O)C(C)NC(C)(CCOC)C(=O)O
InChIInChI=1S/C11H22N2O4/c1-5-12-9(14)8(2)13-11(3,10(15)16)6-7-17-4/h8,13H,5-7H2,1-4H3,(H,12,14)(H,15,16)
InChIKeyQORWSUCEARCRMP-UHFFFAOYSA-N
MW246.31 g/mol
LogP-0.02
Rot. Bonds8

About 2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]-4-methoxy-2-methylbutanoic acid

2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]-4-methoxy-2-methylbutanoic acid (PubChem CID 114999475) has the molecular formula C11H22N2O4 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]-4-methoxy-2-methylbutanoic acid.

Molecular Properties

Compound Name2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]-4-methoxy-2-methylbutanoic acid
PubChem CID114999475
Molecular FormulaC11H22N2O4
Molecular Weight246.31 g/mol
Exact Mass246.16
IUPAC Name2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]-4-methoxy-2-methylbutanoic acid
SMILESCCNC(=O)C(C)NC(C)(CCOC)C(=O)O
InChIInChI=1S/C11H22N2O4/c1-5-12-9(14)8(2)13-11(3,10(15)16)6-7-17-4/h8,13H,5-7H2,1-4H3,(H,12,14)(H,15,16)
InChIKeyQORWSUCEARCRMP-UHFFFAOYSA-N
XLogP-0.02
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-2-methyl-2-(4-methylpentan-2-ylamino)butanoic acid
CID 115000588
(2R)-2-(tert-butylamino)-N-ethylpropanamide
CID 146263926
2-[[1-(carbamoylamino)-1-oxopropan-2-yl]amino]-2-methylpentanoic acid
CID 43619797
2-[[1-(cyclopropylamino)-1-oxopropan-2-yl]amino]-2-methylpentanoic acid
CID 43619805
4-methoxy-2-(3-methoxypropylamino)-2-methylbutanoic acid
CID 114998801
N-ethyl-2-(2-methoxyethoxy)propanamide
CID 169160574
N-ethyl-2-[(1-hydroxy-2-methylbutan-2-yl)amino]propanamide
CID 64550594
2-(2,3-dimethylpentanoylamino)-3-methoxy-2-methylpropanoic acid
CID 120531855
methyl N-[1-(ethylamino)-1-oxopropan-2-yl]carbamate
CID 115575411
2-[[ethyl(1-methoxypropan-2-yl)carbamoyl]amino]-2-methylpentanoic acid
CID 55009806
2-[ethyl(propan-2-yl)amino]-4-methoxy-2-methylbutanoic acid
CID 114999201
N-butan-2-yl-2-[(4-methoxy-2,2-dimethylbutyl)amino]propanamide
CID 104624297

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]-4-methoxy-2-methylbutanoic acid?
The IUPAC name of 2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]-4-methoxy-2-methylbutanoic acid (CID 114999475) is 2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]-4-methoxy-2-methylbutanoic acid.
What is the SMILES notation for 2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]-4-methoxy-2-methylbutanoic acid?
The canonical SMILES for 2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]-4-methoxy-2-methylbutanoic acid is CCNC(=O)C(C)NC(C)(CCOC)C(=O)O.
What is the InChIKey of 2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]-4-methoxy-2-methylbutanoic acid?
The InChIKey is QORWSUCEARCRMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4/c1-5-12-9(14)8(2)13-11(3,10(15)16)6-7-17-4/h8,13H,5-7H2,1-4H3,(H,12,14)(H,15,16).
What are the key properties of 2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]-4-methoxy-2-methylbutanoic acid?
2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]-4-methoxy-2-methylbutanoic acid has a molecular weight of 246.31 g/mol, XLogP of -0.02, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]-4-methoxy-2-methylbutanoic acid is sourced from PubChem (CID 114999475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).