3-[[2-(3,3-dimethylbutanoylamino)acetyl]-(2-methylpropyl)amino]propanoic acid

C15H28N2O4 — CID 119190598

IUPAC3-[[2-(3,3-dimethylbutanoylamino)acetyl]-(2-methylpropyl)amino]propanoic acid
SMILESCC(C)CN(CCC(=O)O)C(=O)CNC(=O)CC(C)(C)C
InChIInChI=1S/C15H28N2O4/c1-11(2)10-17(7-6-14(20)21)13(19)9-16-12(18)8-15(3,4)5/h11H,6-10H2,1-5H3,(H,16,18)(H,20,21)
InChIKeyPJUPYLWYAYCTCV-UHFFFAOYSA-N
MW300.40 g/mol
LogP1.50
Rot. Bonds8

About 3-[[2-(3,3-dimethylbutanoylamino)acetyl]-(2-methylpropyl)amino]propanoic acid

3-[[2-(3,3-dimethylbutanoylamino)acetyl]-(2-methylpropyl)amino]propanoic acid (PubChem CID 119190598) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is 3-[[2-(3,3-dimethylbutanoylamino)acetyl]-(2-methylpropyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[[2-(3,3-dimethylbutanoylamino)acetyl]-(2-methylpropyl)amino]propanoic acid
PubChem CID119190598
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Name3-[[2-(3,3-dimethylbutanoylamino)acetyl]-(2-methylpropyl)amino]propanoic acid
SMILESCC(C)CN(CCC(=O)O)C(=O)CNC(=O)CC(C)(C)C
InChIInChI=1S/C15H28N2O4/c1-11(2)10-17(7-6-14(20)21)13(19)9-16-12(18)8-15(3,4)5/h11H,6-10H2,1-5H3,(H,16,18)(H,20,21)
InChIKeyPJUPYLWYAYCTCV-UHFFFAOYSA-N
XLogP1.50
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[[2-(3,3-dimethylbutanoylamino)acetyl]-(2-methylpropyl)amino]propanoic 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

3-[[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]-(2-methylpropyl)amino]propanoic acid
CID 119190073
3-[2-methylpropyl(pentanoyl)amino]propanoic acid
CID 82323488
3,3-dimethyl-N-(2-methylpropyl)-N-propylbutanamide
CID 18736157
4-[bis[3-(3,3-dimethylbutanoylamino)propyl]amino]-4-oxobutanoic acid
CID 102326203
3-[[2-[bis(2-methylpropyl)amino]-2-oxoethyl]amino]propanoic acid
CID 43466543
N-[2-[1-aminopropan-2-yl(methyl)amino]-2-oxoethyl]-3,3-dimethylbutanamide
CID 119583327
3,3-dimethyl-N-(3-methylbutyl)butanamide
CID 4634731
tert-butyl N-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]carbamate
CID 86653692
N-[2-[1-aminopropan-2-yl(methyl)amino]-2-oxoethyl]-3,3-dimethylbutanamide;hydrochloride
CID 119583326
3-[[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-methylamino]propanoic acid;hydrochloride
CID 119911794
2-[[2-(3,3-dimethylbutanoylamino)acetyl]amino]propanoic acid
CID 119225652
4-[[2,2-dimethylpropyl(2-methylpropyl)carbamoyl]amino]butanoic acid
CID 122022173

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3,3-dimethylbutanoylamino)acetyl]-(2-methylpropyl)amino]propanoic acid?
The IUPAC name of 3-[[2-(3,3-dimethylbutanoylamino)acetyl]-(2-methylpropyl)amino]propanoic acid (CID 119190598) is 3-[[2-(3,3-dimethylbutanoylamino)acetyl]-(2-methylpropyl)amino]propanoic acid.
What is the SMILES notation for 3-[[2-(3,3-dimethylbutanoylamino)acetyl]-(2-methylpropyl)amino]propanoic acid?
The canonical SMILES for 3-[[2-(3,3-dimethylbutanoylamino)acetyl]-(2-methylpropyl)amino]propanoic acid is CC(C)CN(CCC(=O)O)C(=O)CNC(=O)CC(C)(C)C.
What is the InChIKey of 3-[[2-(3,3-dimethylbutanoylamino)acetyl]-(2-methylpropyl)amino]propanoic acid?
The InChIKey is PJUPYLWYAYCTCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-11(2)10-17(7-6-14(20)21)13(19)9-16-12(18)8-15(3,4)5/h11H,6-10H2,1-5H3,(H,16,18)(H,20,21).
What are the key properties of 3-[[2-(3,3-dimethylbutanoylamino)acetyl]-(2-methylpropyl)amino]propanoic acid?
3-[[2-(3,3-dimethylbutanoylamino)acetyl]-(2-methylpropyl)amino]propanoic acid has a molecular weight of 300.40 g/mol, XLogP of 1.50, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3,3-dimethylbutanoylamino)acetyl]-(2-methylpropyl)amino]propanoic acid is sourced from PubChem (CID 119190598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).