3-cyclopropyl-3-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]propanoic acid

C13H22N2O4 — CID 81362383

IUPAC3-cyclopropyl-3-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]propanoic acid
SMILESCC(C)(C)C(=O)NCC(=O)NC(CC(=O)O)C1CC1
InChIInChI=1S/C13H22N2O4/c1-13(2,3)12(19)14-7-10(16)15-9(6-11(17)18)8-4-5-8/h8-9H,4-7H2,1-3H3,(H,14,19)(H,15,16)(H,17,18)
InChIKeyUYZJLEUIMOPRIG-UHFFFAOYSA-N
MW270.33 g/mol
LogP0.52
Rot. Bonds6

About 3-cyclopropyl-3-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]propanoic acid

3-cyclopropyl-3-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]propanoic acid (PubChem CID 81362383) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 3-cyclopropyl-3-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name3-cyclopropyl-3-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]propanoic acid
PubChem CID81362383
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name3-cyclopropyl-3-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]propanoic acid
SMILESCC(C)(C)C(=O)NCC(=O)NC(CC(=O)O)C1CC1
InChIInChI=1S/C13H22N2O4/c1-13(2,3)12(19)14-7-10(16)15-9(6-11(17)18)8-4-5-8/h8-9H,4-7H2,1-3H3,(H,14,19)(H,15,16)(H,17,18)
InChIKeyUYZJLEUIMOPRIG-UHFFFAOYSA-N
XLogP0.52
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-cyclopropyl-3-[[2-(2,2-dimethylpropanoylamino)acetyl]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-benzamidoacetyl)amino]-3-cyclopropylpropanoic acid
CID 81368878
3-cyclopropyl-3-[(3-methoxy-3-methylbutanoyl)amino]propanoic acid
CID 103019197
N-[2-[[cyano(cyclohexyl)methyl]amino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 71979380
3-cyclopropyl-3-(2-cyclopropylethylcarbamoylamino)propanoic acid
CID 82003378
N-[4-[(2-amino-1-cyclopropylethyl)amino]-4-oxobutyl]-2,2-dimethylpropanamide
CID 119615517
3-cyclopropyl-3-(2-cyclopropylpropan-2-ylcarbamoylamino)propanoic acid
CID 114111558
3-cyclopropyl-3-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]propanoic acid
CID 102907220
3-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]-3-methylbutanoic acid
CID 64670863
2,2-dimethyl-N-[2-oxo-2-[[(1R)-1-[(3S)-oxolan-3-yl]prop-2-ynyl]amino]ethyl]propanamide
CID 99787623
3-cyclopropyl-3-(3-ethoxypropanoylamino)propanoic acid
CID 81361654
3-(5-aminohexanoylamino)-3-cyclopropylpropanoic acid
CID 82853423
3-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]-3-cyclopropylpropanoic acid
CID 107472588

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]propanoic acid?
The IUPAC name of 3-cyclopropyl-3-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]propanoic acid (CID 81362383) is 3-cyclopropyl-3-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]propanoic acid.
What is the SMILES notation for 3-cyclopropyl-3-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]propanoic acid?
The canonical SMILES for 3-cyclopropyl-3-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]propanoic acid is CC(C)(C)C(=O)NCC(=O)NC(CC(=O)O)C1CC1.
What is the InChIKey of 3-cyclopropyl-3-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]propanoic acid?
The InChIKey is UYZJLEUIMOPRIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-13(2,3)12(19)14-7-10(16)15-9(6-11(17)18)8-4-5-8/h8-9H,4-7H2,1-3H3,(H,14,19)(H,15,16)(H,17,18).
What are the key properties of 3-cyclopropyl-3-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]propanoic acid?
3-cyclopropyl-3-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]propanoic acid has a molecular weight of 270.33 g/mol, XLogP of 0.52, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]propanoic acid is sourced from PubChem (CID 81362383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).