(2S)-2-aminopropanoic acid;N,N-diethylethanamine

C9H22N2O2 — CID 12544899

IUPAC(2S)-2-aminopropanoic acid;N,N-diethylethanamine
SMILESCCN(CC)CC.C[C@H](N)C(=O)O
InChIInChI=1S/C6H15N.C3H7NO2/c1-4-7(5-2)6-3;1-2(4)3(5)6/h4-6H2,1-3H3;2H,4H2,1H3,(H,5,6)/t;2-/m.0/s1
InChIKeyOSOKRZJIJYCDMI-WNQIDUERSA-N
MW190.29 g/mol
LogP0.77
Rot. Bonds4

About (2S)-2-aminopropanoic acid;N,N-diethylethanamine

(2S)-2-aminopropanoic acid;N,N-diethylethanamine (PubChem CID 12544899) has the molecular formula C9H22N2O2 and a molecular weight of 190.29 g/mol. Its IUPAC name is (2S)-2-aminopropanoic acid;N,N-diethylethanamine.

Molecular Properties

Compound Name(2S)-2-aminopropanoic acid;N,N-diethylethanamine
PubChem CID12544899
Molecular FormulaC9H22N2O2
Molecular Weight190.29 g/mol
Exact Mass190.17
IUPAC Name(2S)-2-aminopropanoic acid;N,N-diethylethanamine
SMILESCCN(CC)CC.C[C@H](N)C(=O)O
InChIInChI=1S/C6H15N.C3H7NO2/c1-4-7(5-2)6-3;1-2(4)3(5)6/h4-6H2,1-3H3;2H,4H2,1H3,(H,5,6)/t;2-/m.0/s1
InChIKeyOSOKRZJIJYCDMI-WNQIDUERSA-N
XLogP0.77
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-aminopropanoic acid;N,N-diethylethanamine?
The IUPAC name of (2S)-2-aminopropanoic acid;N,N-diethylethanamine (CID 12544899) is (2S)-2-aminopropanoic acid;N,N-diethylethanamine.
What is the SMILES notation for (2S)-2-aminopropanoic acid;N,N-diethylethanamine?
The canonical SMILES for (2S)-2-aminopropanoic acid;N,N-diethylethanamine is CCN(CC)CC.C[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-aminopropanoic acid;N,N-diethylethanamine?
The InChIKey is OSOKRZJIJYCDMI-WNQIDUERSA-N. The full InChI is InChI=1S/C6H15N.C3H7NO2/c1-4-7(5-2)6-3;1-2(4)3(5)6/h4-6H2,1-3H3;2H,4H2,1H3,(H,5,6)/t;2-/m.0/s1.
What are the key properties of (2S)-2-aminopropanoic acid;N,N-diethylethanamine?
(2S)-2-aminopropanoic acid;N,N-diethylethanamine has a molecular weight of 190.29 g/mol, XLogP of 0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-aminopropanoic acid;N,N-diethylethanamine is sourced from PubChem (CID 12544899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).