2-cyclopropyl-2-[2-(dimethylamino)ethylamino]propanoic acid

C10H20N2O2 — CID 61002157

IUPAC2-cyclopropyl-2-[2-(dimethylamino)ethylamino]propanoic acid
SMILESCN(C)CCNC(C)(C(=O)O)C1CC1
InChIInChI=1S/C10H20N2O2/c1-10(9(13)14,8-4-5-8)11-6-7-12(2)3/h8,11H,4-7H2,1-3H3,(H,13,14)
InChIKeyZXCNLWDWGYFSQJ-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.39
Rot. Bonds6

About 2-cyclopropyl-2-[2-(dimethylamino)ethylamino]propanoic acid

2-cyclopropyl-2-[2-(dimethylamino)ethylamino]propanoic acid (PubChem CID 61002157) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-cyclopropyl-2-[2-(dimethylamino)ethylamino]propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[2-(dimethylamino)ethylamino]propanoic acid
PubChem CID61002157
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name2-cyclopropyl-2-[2-(dimethylamino)ethylamino]propanoic acid
SMILESCN(C)CCNC(C)(C(=O)O)C1CC1
InChIInChI=1S/C10H20N2O2/c1-10(9(13)14,8-4-5-8)11-6-7-12(2)3/h8,11H,4-7H2,1-3H3,(H,13,14)
InChIKeyZXCNLWDWGYFSQJ-UHFFFAOYSA-N
XLogP0.39
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[2-(dimethylamino)ethylamino]propanoic acid?
The IUPAC name of 2-cyclopropyl-2-[2-(dimethylamino)ethylamino]propanoic acid (CID 61002157) is 2-cyclopropyl-2-[2-(dimethylamino)ethylamino]propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-[2-(dimethylamino)ethylamino]propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-[2-(dimethylamino)ethylamino]propanoic acid is CN(C)CCNC(C)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[2-(dimethylamino)ethylamino]propanoic acid?
The InChIKey is ZXCNLWDWGYFSQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-10(9(13)14,8-4-5-8)11-6-7-12(2)3/h8,11H,4-7H2,1-3H3,(H,13,14).
What are the key properties of 2-cyclopropyl-2-[2-(dimethylamino)ethylamino]propanoic acid?
2-cyclopropyl-2-[2-(dimethylamino)ethylamino]propanoic acid has a molecular weight of 200.28 g/mol, XLogP of 0.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[2-(dimethylamino)ethylamino]propanoic acid is sourced from PubChem (CID 61002157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).