2-methyl-2-[[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]amino]butanoic acid

C11H21N3O4 — CID 79790704

IUPAC2-methyl-2-[[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]amino]butanoic acid
SMILESCCC(C)(NCC(=O)NC(=O)NC(C)C)C(=O)O
InChIInChI=1S/C11H21N3O4/c1-5-11(4,9(16)17)12-6-8(15)14-10(18)13-7(2)3/h7,12H,5-6H2,1-4H3,(H,16,17)(H2,13,14,15,18)
InChIKeyHWWZUISCQRSEBY-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.06
Rot. Bonds6

About 2-methyl-2-[[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]amino]butanoic acid

2-methyl-2-[[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]amino]butanoic acid (PubChem CID 79790704) has the molecular formula C11H21N3O4 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-methyl-2-[[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]amino]butanoic acid.

Molecular Properties

Compound Name2-methyl-2-[[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]amino]butanoic acid
PubChem CID79790704
Molecular FormulaC11H21N3O4
Molecular Weight259.31 g/mol
Exact Mass259.15
IUPAC Name2-methyl-2-[[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]amino]butanoic acid
SMILESCCC(C)(NCC(=O)NC(=O)NC(C)C)C(=O)O
InChIInChI=1S/C11H21N3O4/c1-5-11(4,9(16)17)12-6-8(15)14-10(18)13-7(2)3/h7,12H,5-6H2,1-4H3,(H,16,17)(H2,13,14,15,18)
InChIKeyHWWZUISCQRSEBY-UHFFFAOYSA-N
XLogP0.06
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-methyl-2-[[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]amino]butanoic 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)-2-[[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]amino]propanoic acid
CID 83193774
2-methyl-2-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]sulfanylpropanoic acid
CID 81223270
2-methyl-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanoic acid
CID 61339960
2-methyl-2-(2-methylpentan-3-ylcarbamoylamino)butanoic acid
CID 79800969
2-methyl-2-(pentan-2-ylcarbamoylamino)butanoic acid
CID 79798870
2-[[2-(tert-butylcarbamoylamino)-2-oxoethyl]amino]-2-ethylbutanoic acid
CID 79810348
2-[tert-butyl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]amino]acetic acid
CID 79268934
2-ethyl-2-[[2-(methylcarbamoylamino)-2-oxoethyl]amino]butanoic acid
CID 79803537
2-[[2-(2,6-dichloroanilino)-2-oxoethyl]amino]-2-methylbutanoic acid
CID 79801477
2-methyl-2-[[2-oxo-2-(2,4,6-triiodoanilino)ethyl]amino]butanoic acid
CID 79789607
2-[[2-(4-acetylanilino)-2-oxoethyl]amino]-2-methylbutanoic acid
CID 79790725
2-methyl-2-[[4-(propan-2-ylcarbamoyl)benzoyl]amino]butanoic acid
CID 120518474

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]amino]butanoic acid?
The IUPAC name of 2-methyl-2-[[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]amino]butanoic acid (CID 79790704) is 2-methyl-2-[[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]amino]butanoic acid.
What is the SMILES notation for 2-methyl-2-[[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]amino]butanoic acid?
The canonical SMILES for 2-methyl-2-[[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]amino]butanoic acid is CCC(C)(NCC(=O)NC(=O)NC(C)C)C(=O)O.
What is the InChIKey of 2-methyl-2-[[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]amino]butanoic acid?
The InChIKey is HWWZUISCQRSEBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O4/c1-5-11(4,9(16)17)12-6-8(15)14-10(18)13-7(2)3/h7,12H,5-6H2,1-4H3,(H,16,17)(H2,13,14,15,18).
What are the key properties of 2-methyl-2-[[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]amino]butanoic acid?
2-methyl-2-[[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]amino]butanoic acid has a molecular weight of 259.31 g/mol, XLogP of 0.06, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]amino]butanoic acid is sourced from PubChem (CID 79790704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).