3-amino-2-hydroxypropanoic acid;N,N-diethylethanamine

C9H22N2O3 — CID 87890372

IUPAC3-amino-2-hydroxypropanoic acid;N,N-diethylethanamine
SMILESCCN(CC)CC.NCC(O)C(=O)O
InChIInChI=1S/C6H15N.C3H7NO3/c1-4-7(5-2)6-3;4-1-2(5)3(6)7/h4-6H2,1-3H3;2,5H,1,4H2,(H,6,7)
InChIKeyOZKALMVZSYXUOC-UHFFFAOYSA-N
MW206.29 g/mol
LogP-0.26
Rot. Bonds5

About 3-amino-2-hydroxypropanoic acid;N,N-diethylethanamine

3-amino-2-hydroxypropanoic acid;N,N-diethylethanamine (PubChem CID 87890372) has the molecular formula C9H22N2O3 and a molecular weight of 206.29 g/mol. Its IUPAC name is 3-amino-2-hydroxypropanoic acid;N,N-diethylethanamine.

Molecular Properties

Compound Name3-amino-2-hydroxypropanoic acid;N,N-diethylethanamine
PubChem CID87890372
Molecular FormulaC9H22N2O3
Molecular Weight206.29 g/mol
Exact Mass206.16
IUPAC Name3-amino-2-hydroxypropanoic acid;N,N-diethylethanamine
SMILESCCN(CC)CC.NCC(O)C(=O)O
InChIInChI=1S/C6H15N.C3H7NO3/c1-4-7(5-2)6-3;4-1-2(5)3(6)7/h4-6H2,1-3H3;2,5H,1,4H2,(H,6,7)
InChIKeyOZKALMVZSYXUOC-UHFFFAOYSA-N
XLogP-0.26
TPSA86.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-hydroxypropanoic acid;N,N-diethylethanamine?
The IUPAC name of 3-amino-2-hydroxypropanoic acid;N,N-diethylethanamine (CID 87890372) is 3-amino-2-hydroxypropanoic acid;N,N-diethylethanamine.
What is the SMILES notation for 3-amino-2-hydroxypropanoic acid;N,N-diethylethanamine?
The canonical SMILES for 3-amino-2-hydroxypropanoic acid;N,N-diethylethanamine is CCN(CC)CC.NCC(O)C(=O)O.
What is the InChIKey of 3-amino-2-hydroxypropanoic acid;N,N-diethylethanamine?
The InChIKey is OZKALMVZSYXUOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.C3H7NO3/c1-4-7(5-2)6-3;4-1-2(5)3(6)7/h4-6H2,1-3H3;2,5H,1,4H2,(H,6,7).
What are the key properties of 3-amino-2-hydroxypropanoic acid;N,N-diethylethanamine?
3-amino-2-hydroxypropanoic acid;N,N-diethylethanamine has a molecular weight of 206.29 g/mol, XLogP of -0.26, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-hydroxypropanoic acid;N,N-diethylethanamine is sourced from PubChem (CID 87890372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).