2-[[2-(butanoylamino)acetyl]amino]-2-methylbutanoic acid

C11H20N2O4 — CID 119199520

IUPAC2-[[2-(butanoylamino)acetyl]amino]-2-methylbutanoic acid
SMILESCCCC(=O)NCC(=O)NC(C)(CC)C(=O)O
InChIInChI=1S/C11H20N2O4/c1-4-6-8(14)12-7-9(15)13-11(3,5-2)10(16)17/h4-7H2,1-3H3,(H,12,14)(H,13,15)(H,16,17)
InChIKeyCVFANPIPWINEIL-UHFFFAOYSA-N
MW244.29 g/mol
LogP0.27
Rot. Bonds7

About 2-[[2-(butanoylamino)acetyl]amino]-2-methylbutanoic acid

2-[[2-(butanoylamino)acetyl]amino]-2-methylbutanoic acid (PubChem CID 119199520) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-[[2-(butanoylamino)acetyl]amino]-2-methylbutanoic acid.

Molecular Properties

Compound Name2-[[2-(butanoylamino)acetyl]amino]-2-methylbutanoic acid
PubChem CID119199520
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name2-[[2-(butanoylamino)acetyl]amino]-2-methylbutanoic acid
SMILESCCCC(=O)NCC(=O)NC(C)(CC)C(=O)O
InChIInChI=1S/C11H20N2O4/c1-4-6-8(14)12-7-9(15)13-11(3,5-2)10(16)17/h4-7H2,1-3H3,(H,12,14)(H,13,15)(H,16,17)
InChIKeyCVFANPIPWINEIL-UHFFFAOYSA-N
XLogP0.27
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[[2-(butanoylamino)acetyl]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

2-[[2-[(2-cyclohexylacetyl)amino]acetyl]amino]-2-methylbutanoic acid
CID 119199192
(2S)-2-acetamido-2-methylbutanoic acid
CID 71355971
(2R)-2-(4,4-dimethylpentanoylamino)-2-methylbutanoic acid
CID 97233847
2-methyl-2-(3-methylhexanoylamino)butanoic acid
CID 119199351
2-[3-(2,2-dimethylpropanoylamino)propanoylamino]-2-methylbutanoic acid
CID 79792553
2-[[2-(tert-butylamino)acetyl]amino]-2-methylpentanoic acid
CID 79256791
2-[4-(2-aminoethyl)heptanoylamino]-2-methylbutanoic acid
CID 79798912
2-[(2-methoxy-2-oxoethyl)carbamoylamino]-2-methylbutanoic acid
CID 79799154
2-methyl-2-[(2-propan-2-ylsulfanylacetyl)amino]butanoic acid
CID 79792644
2-(methoxycarbonylamino)-2-methylbutanoic acid
CID 79792133
2-(3-benzamidopropanoylamino)-2-methylbutanoic acid
CID 79789289
2-[[3-(aminomethyl)-5-methylhexanoyl]amino]-2-methylbutanoic acid
CID 79798556

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(butanoylamino)acetyl]amino]-2-methylbutanoic acid?
The IUPAC name of 2-[[2-(butanoylamino)acetyl]amino]-2-methylbutanoic acid (CID 119199520) is 2-[[2-(butanoylamino)acetyl]amino]-2-methylbutanoic acid.
What is the SMILES notation for 2-[[2-(butanoylamino)acetyl]amino]-2-methylbutanoic acid?
The canonical SMILES for 2-[[2-(butanoylamino)acetyl]amino]-2-methylbutanoic acid is CCCC(=O)NCC(=O)NC(C)(CC)C(=O)O.
What is the InChIKey of 2-[[2-(butanoylamino)acetyl]amino]-2-methylbutanoic acid?
The InChIKey is CVFANPIPWINEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-4-6-8(14)12-7-9(15)13-11(3,5-2)10(16)17/h4-7H2,1-3H3,(H,12,14)(H,13,15)(H,16,17).
What are the key properties of 2-[[2-(butanoylamino)acetyl]amino]-2-methylbutanoic acid?
2-[[2-(butanoylamino)acetyl]amino]-2-methylbutanoic acid has a molecular weight of 244.29 g/mol, XLogP of 0.27, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(butanoylamino)acetyl]amino]-2-methylbutanoic acid is sourced from PubChem (CID 119199520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).