3-[(2-amino-2-cyclopropylpropanoyl)-ethylamino]propanoic acid

C11H20N2O3 — CID 62328664

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

About 3-[(2-amino-2-cyclopropylpropanoyl)-ethylamino]propanoic acid

3-[(2-amino-2-cyclopropylpropanoyl)-ethylamino]propanoic acid (PubChem CID 62328664) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 3-[(2-amino-2-cyclopropylpropanoyl)-ethylamino]propanoic acid.

Molecular Properties

Compound Name3-[(2-amino-2-cyclopropylpropanoyl)-ethylamino]propanoic acid
PubChem CID62328664
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name3-[(2-amino-2-cyclopropylpropanoyl)-ethylamino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)C(C)(N)C1CC1
InChIInChI=1S/C11H20N2O3/c1-3-13(7-6-9(14)15)10(16)11(2,12)8-4-5-8/h8H,3-7,12H2,1-2H3,(H,14,15)
InChIKeyWVOLTCJMJWRHIY-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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Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-2-cyclopropylpropanoyl)-ethylamino]propanoic acid?
The IUPAC name of 3-[(2-amino-2-cyclopropylpropanoyl)-ethylamino]propanoic acid (CID 62328664) is 3-[(2-amino-2-cyclopropylpropanoyl)-ethylamino]propanoic acid.
What is the SMILES notation for 3-[(2-amino-2-cyclopropylpropanoyl)-ethylamino]propanoic acid?
The canonical SMILES for 3-[(2-amino-2-cyclopropylpropanoyl)-ethylamino]propanoic acid is CCN(CCC(=O)O)C(=O)C(C)(N)C1CC1.
What is the InChIKey of 3-[(2-amino-2-cyclopropylpropanoyl)-ethylamino]propanoic acid?
The InChIKey is WVOLTCJMJWRHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-3-13(7-6-9(14)15)10(16)11(2,12)8-4-5-8/h8H,3-7,12H2,1-2H3,(H,14,15).
What are the key properties of 3-[(2-amino-2-cyclopropylpropanoyl)-ethylamino]propanoic acid?
3-[(2-amino-2-cyclopropylpropanoyl)-ethylamino]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-[(2-amino-2-cyclopropylpropanoyl)-ethylamino]propanoic acid is sourced from PubChem (CID 62328664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).