4-(2-methylbutan-2-ylcarbamoylamino)butanoic acid

C10H20N2O3 — CID 61186754

IUPAC4-(2-methylbutan-2-ylcarbamoylamino)butanoic acid
SMILESCCC(C)(C)NC(=O)NCCCC(=O)O
InChIInChI=1S/C10H20N2O3/c1-4-10(2,3)12-9(15)11-7-5-6-8(13)14/h4-7H2,1-3H3,(H,13,14)(H2,11,12,15)
InChIKeyDAGHWQINGVOCNP-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.34
Rot. Bonds6

About 4-(2-methylbutan-2-ylcarbamoylamino)butanoic acid

4-(2-methylbutan-2-ylcarbamoylamino)butanoic acid (PubChem CID 61186754) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 4-(2-methylbutan-2-ylcarbamoylamino)butanoic acid.

Molecular Properties

Compound Name4-(2-methylbutan-2-ylcarbamoylamino)butanoic acid
PubChem CID61186754
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name4-(2-methylbutan-2-ylcarbamoylamino)butanoic acid
SMILESCCC(C)(C)NC(=O)NCCCC(=O)O
InChIInChI=1S/C10H20N2O3/c1-4-10(2,3)12-9(15)11-7-5-6-8(13)14/h4-7H2,1-3H3,(H,13,14)(H2,11,12,15)
InChIKeyDAGHWQINGVOCNP-UHFFFAOYSA-N
XLogP1.34
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(2-methylbutan-2-ylcarbamoylamino)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

4-(3-methylpentan-3-ylcarbamoylamino)butanoic acid
CID 106330626
4-(tert-butylcarbamoylamino)butanoic acid
CID 2185486
4-[(4-ethoxy-4-oxobutyl)carbamoylamino]-4-methylpentanoic acid
CID 64576045
4-methyl-4-(propylcarbamoylamino)pentanoic acid
CID 62043521
4-[[4-(azepan-1-yl)-2-methylbutan-2-yl]carbamoylamino]butanoic acid
CID 122022777
4-(pentylcarbamoylamino)butanoic acid
CID 28511535
4-methyl-4-(pent-4-ynylcarbamoylamino)pentanoic acid
CID 106222819
4-methyl-4-(5-methylsulfanylpentylcarbamoylamino)pentanoic acid
CID 114128566
3-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoylamino]propanoic acid
CID 106097819
4-(2-acetamidoethylcarbamoylamino)butanoic acid
CID 61201692
4-[3-(cyclopropylamino)propylcarbamoylamino]-4-methylpentanoic acid
CID 62050385
4-(2,2-difluorobutanoylamino)butanoic acid
CID 89018957

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylbutan-2-ylcarbamoylamino)butanoic acid?
The IUPAC name of 4-(2-methylbutan-2-ylcarbamoylamino)butanoic acid (CID 61186754) is 4-(2-methylbutan-2-ylcarbamoylamino)butanoic acid.
What is the SMILES notation for 4-(2-methylbutan-2-ylcarbamoylamino)butanoic acid?
The canonical SMILES for 4-(2-methylbutan-2-ylcarbamoylamino)butanoic acid is CCC(C)(C)NC(=O)NCCCC(=O)O.
What is the InChIKey of 4-(2-methylbutan-2-ylcarbamoylamino)butanoic acid?
The InChIKey is DAGHWQINGVOCNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-4-10(2,3)12-9(15)11-7-5-6-8(13)14/h4-7H2,1-3H3,(H,13,14)(H2,11,12,15).
What are the key properties of 4-(2-methylbutan-2-ylcarbamoylamino)butanoic acid?
4-(2-methylbutan-2-ylcarbamoylamino)butanoic acid has a molecular weight of 216.28 g/mol, XLogP of 1.34, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylbutan-2-ylcarbamoylamino)butanoic acid is sourced from PubChem (CID 61186754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).