3-[(3-amino-2,2-dimethylpropanoyl)-cyclopropylamino]propanoic acid

C11H20N2O3 — CID 115426555

IUPAC3-[(3-amino-2,2-dimethylpropanoyl)-cyclopropylamino]propanoic acid
SMILESCC(C)(CN)C(=O)N(CCC(=O)O)C1CC1
InChIInChI=1S/C11H20N2O3/c1-11(2,7-12)10(16)13(8-3-4-8)6-5-9(14)15/h8H,3-7,12H2,1-2H3,(H,14,15)
InChIKeyQVVCCZVMYJXFFR-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.44
Rot. Bonds6

About 3-[(3-amino-2,2-dimethylpropanoyl)-cyclopropylamino]propanoic acid

3-[(3-amino-2,2-dimethylpropanoyl)-cyclopropylamino]propanoic acid (PubChem CID 115426555) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 3-[(3-amino-2,2-dimethylpropanoyl)-cyclopropylamino]propanoic acid.

Molecular Properties

Compound Name3-[(3-amino-2,2-dimethylpropanoyl)-cyclopropylamino]propanoic acid
PubChem CID115426555
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name3-[(3-amino-2,2-dimethylpropanoyl)-cyclopropylamino]propanoic acid
SMILESCC(C)(CN)C(=O)N(CCC(=O)O)C1CC1
InChIInChI=1S/C11H20N2O3/c1-11(2,7-12)10(16)13(8-3-4-8)6-5-9(14)15/h8H,3-7,12H2,1-2H3,(H,14,15)
InChIKeyQVVCCZVMYJXFFR-UHFFFAOYSA-N
XLogP0.44
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[cyclopropyl-(2-methoxy-2-methylpropanoyl)amino]propanoic acid
CID 103018270
3-[acetyl(cyclopropyl)amino]propanoic acid
CID 60843836
3-amino-N-(2-hydroxyethyl)-2,2-dimethyl-N-(1-methylpiperidin-4-yl)propanamide
CID 113307593
ethyl 2-[(3-amino-2,2-dimethylpropanoyl)-cyclopropylamino]acetate
CID 113307595
3-[cyclopropyl(2,2-dimethylpropylcarbamoyl)amino]propanoic acid
CID 61209232
3-[cyclopropyl(dimethylcarbamoyl)amino]propanoic acid
CID 61196461
3-[cyclopropyl(methoxycarbonyl)amino]propanoic acid
CID 60828272
3-[cyclopropyl(diethylcarbamoyl)amino]propanoic acid
CID 61186595
2-[cyclopropyl(2,2-dimethylbutanoyl)amino]acetic acid
CID 62680100
3-(N-(3-amino-2,2-dimethylpropanoyl)anilino)propanoic acid
CID 115426559
3-amino-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2,2-dimethylpropanamide
CID 115426364
3-[cyclopentanecarbonyl(cyclopropyl)amino]propanoic acid
CID 60845034

Frequently Asked Questions

What is the IUPAC name of 3-[(3-amino-2,2-dimethylpropanoyl)-cyclopropylamino]propanoic acid?
The IUPAC name of 3-[(3-amino-2,2-dimethylpropanoyl)-cyclopropylamino]propanoic acid (CID 115426555) is 3-[(3-amino-2,2-dimethylpropanoyl)-cyclopropylamino]propanoic acid.
What is the SMILES notation for 3-[(3-amino-2,2-dimethylpropanoyl)-cyclopropylamino]propanoic acid?
The canonical SMILES for 3-[(3-amino-2,2-dimethylpropanoyl)-cyclopropylamino]propanoic acid is CC(C)(CN)C(=O)N(CCC(=O)O)C1CC1.
What is the InChIKey of 3-[(3-amino-2,2-dimethylpropanoyl)-cyclopropylamino]propanoic acid?
The InChIKey is QVVCCZVMYJXFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-11(2,7-12)10(16)13(8-3-4-8)6-5-9(14)15/h8H,3-7,12H2,1-2H3,(H,14,15).
What are the key properties of 3-[(3-amino-2,2-dimethylpropanoyl)-cyclopropylamino]propanoic acid?
3-[(3-amino-2,2-dimethylpropanoyl)-cyclopropylamino]propanoic acid has a molecular weight of 228.29 g/mol, XLogP of 0.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-amino-2,2-dimethylpropanoyl)-cyclopropylamino]propanoic acid is sourced from PubChem (CID 115426555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).