4-[[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-2-methylbutanoic acid

C11H21N3O4 — CID 80541817

IUPAC4-[[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-2-methylbutanoic acid
SMILESCCNC(=O)CN(C)C(=O)NCCC(C)C(=O)O
InChIInChI=1S/C11H21N3O4/c1-4-12-9(15)7-14(3)11(18)13-6-5-8(2)10(16)17/h8H,4-7H2,1-3H3,(H,12,15)(H,13,18)(H,16,17)
InChIKeyAZWASTWLRRWDBY-UHFFFAOYSA-N
MW259.31 g/mol
LogP-0.13
Rot. Bonds7

About 4-[[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-2-methylbutanoic acid

4-[[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-2-methylbutanoic acid (PubChem CID 80541817) has the molecular formula C11H21N3O4 and a molecular weight of 259.31 g/mol. Its IUPAC name is 4-[[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-2-methylbutanoic acid.

Molecular Properties

Compound Name4-[[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-2-methylbutanoic acid
PubChem CID80541817
Molecular FormulaC11H21N3O4
Molecular Weight259.31 g/mol
Exact Mass259.15
IUPAC Name4-[[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-2-methylbutanoic acid
SMILESCCNC(=O)CN(C)C(=O)NCCC(C)C(=O)O
InChIInChI=1S/C11H21N3O4/c1-4-12-9(15)7-14(3)11(18)13-6-5-8(2)10(16)17/h8H,4-7H2,1-3H3,(H,12,15)(H,13,18)(H,16,17)
InChIKeyAZWASTWLRRWDBY-UHFFFAOYSA-N
XLogP-0.13
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-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

(2S)-4-[[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-2-hydroxybutanoic acid
CID 107839136
4-[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]amino]-2-methylbutanoic acid
CID 80541797
4-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-2-methylbutanoic acid
CID 80541128
2-methyl-4-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]butanoic acid
CID 106917283
2-methyl-4-[[methyl(2-methylbutan-2-yl)carbamoyl]amino]butanoic acid
CID 80541149
5-[[2-[acetyl(methyl)amino]acetyl]amino]-2-methylpentanoic acid
CID 104681859
2-[[methyl-[2-oxo-2-(propylamino)ethyl]carbamoyl]amino]hexanoic acid
CID 61452543
3-[[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-2,2-dimethylpropanoic acid
CID 115428599
4-[[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]amino]-2-hydroxybutanoic acid
CID 107839151
N-ethyl-3-[[ethyl(methyl)carbamoyl]amino]propanamide
CID 116657785
2-methyl-4-[[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]amino]butanoic acid
CID 112662769
2-methyl-4-[[methyl(oxan-3-ylmethyl)carbamoyl]amino]butanoic acid
CID 80541148

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-2-methylbutanoic acid?
The IUPAC name of 4-[[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-2-methylbutanoic acid (CID 80541817) is 4-[[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-2-methylbutanoic acid.
What is the SMILES notation for 4-[[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-2-methylbutanoic acid?
The canonical SMILES for 4-[[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-2-methylbutanoic acid is CCNC(=O)CN(C)C(=O)NCCC(C)C(=O)O.
What is the InChIKey of 4-[[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-2-methylbutanoic acid?
The InChIKey is AZWASTWLRRWDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O4/c1-4-12-9(15)7-14(3)11(18)13-6-5-8(2)10(16)17/h8H,4-7H2,1-3H3,(H,12,15)(H,13,18)(H,16,17).
What are the key properties of 4-[[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-2-methylbutanoic acid?
4-[[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-2-methylbutanoic acid has a molecular weight of 259.31 g/mol, XLogP of -0.13, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-2-methylbutanoic acid is sourced from PubChem (CID 80541817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).