2-(dipropylamino)-3-(methylamino)propanoic acid

C10H22N2O2 — CID 58731521

IUPAC2-(dipropylamino)-3-(methylamino)propanoic acid
SMILESCCCN(CCC)C(CNC)C(=O)O
InChIInChI=1S/C10H22N2O2/c1-4-6-12(7-5-2)9(8-11-3)10(13)14/h9,11H,4-8H2,1-3H3,(H,13,14)
InChIKeyGAQKQOTZZNHVBA-UHFFFAOYSA-N
MW202.30 g/mol
LogP0.78
Rot. Bonds8

About 2-(dipropylamino)-3-(methylamino)propanoic acid

2-(dipropylamino)-3-(methylamino)propanoic acid (PubChem CID 58731521) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 2-(dipropylamino)-3-(methylamino)propanoic acid.

Molecular Properties

Compound Name2-(dipropylamino)-3-(methylamino)propanoic acid
PubChem CID58731521
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Name2-(dipropylamino)-3-(methylamino)propanoic acid
SMILESCCCN(CCC)C(CNC)C(=O)O
InChIInChI=1S/C10H22N2O2/c1-4-6-12(7-5-2)9(8-11-3)10(13)14/h9,11H,4-8H2,1-3H3,(H,13,14)
InChIKeyGAQKQOTZZNHVBA-UHFFFAOYSA-N
XLogP0.78
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(dipropylamino)-3-(methylamino)propanoic acid?
The IUPAC name of 2-(dipropylamino)-3-(methylamino)propanoic acid (CID 58731521) is 2-(dipropylamino)-3-(methylamino)propanoic acid.
What is the SMILES notation for 2-(dipropylamino)-3-(methylamino)propanoic acid?
The canonical SMILES for 2-(dipropylamino)-3-(methylamino)propanoic acid is CCCN(CCC)C(CNC)C(=O)O.
What is the InChIKey of 2-(dipropylamino)-3-(methylamino)propanoic acid?
The InChIKey is GAQKQOTZZNHVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-4-6-12(7-5-2)9(8-11-3)10(13)14/h9,11H,4-8H2,1-3H3,(H,13,14).
What are the key properties of 2-(dipropylamino)-3-(methylamino)propanoic acid?
2-(dipropylamino)-3-(methylamino)propanoic acid has a molecular weight of 202.30 g/mol, XLogP of 0.78, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dipropylamino)-3-(methylamino)propanoic acid is sourced from PubChem (CID 58731521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).