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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ala-Val
CID 96799
Val-Asp
CID 7009608
Ser-Val
CID 7020159
Glycyl-alanyl-valine
CID 129439
(S)-2-[(S)-2-((S)-2-Acetylamino-3-methyl-butyrylamino)-propionylamino]-succinic acid
CID 44301469
2-[[2-[(2-Amino-3-methylbutanoyl)amino]-3-methylbutanoyl]amino]-3-methylbutanoic acid
CID 235009
(2S)-2-[[(2S)-2-azaniumyl-3-hydroxypropanoyl]amino]-3-methylbutanoate
CID 7020158
DL-Ala-DL-Val
CID 137276
Ala-Ala-Asp
CID 9838453
N-Acetyl-serylaspartic acid
CID 14752828
Glycyl-glycyl-valine
CID 193555
Valyl-valyl-valine
CID 7020215

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).