2-[[2-(diethylamino)-2-phenylethyl]amino]-3-methoxypropanoic acid

C16H26N2O3 — CID 103235339

IUPAC2-[[2-(diethylamino)-2-phenylethyl]amino]-3-methoxypropanoic acid
SMILESCCN(CC)C(CNC(COC)C(=O)O)c1ccccc1
InChIInChI=1S/C16H26N2O3/c1-4-18(5-2)15(13-9-7-6-8-10-13)11-17-14(12-21-3)16(19)20/h6-10,14-15,17H,4-5,11-12H2,1-3H3,(H,19,20)
InChIKeyCFNVSOKLDXBTGO-UHFFFAOYSA-N
MW294.39 g/mol
LogP1.76
Rot. Bonds10

About 2-[[2-(diethylamino)-2-phenylethyl]amino]-3-methoxypropanoic acid

2-[[2-(diethylamino)-2-phenylethyl]amino]-3-methoxypropanoic acid (PubChem CID 103235339) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is 2-[[2-(diethylamino)-2-phenylethyl]amino]-3-methoxypropanoic acid.

Molecular Properties

Compound Name2-[[2-(diethylamino)-2-phenylethyl]amino]-3-methoxypropanoic acid
PubChem CID103235339
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name2-[[2-(diethylamino)-2-phenylethyl]amino]-3-methoxypropanoic acid
SMILESCCN(CC)C(CNC(COC)C(=O)O)c1ccccc1
InChIInChI=1S/C16H26N2O3/c1-4-18(5-2)15(13-9-7-6-8-10-13)11-17-14(12-21-3)16(19)20/h6-10,14-15,17H,4-5,11-12H2,1-3H3,(H,19,20)
InChIKeyCFNVSOKLDXBTGO-UHFFFAOYSA-N
XLogP1.76
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(diethylamino)-2-phenylethyl]amino]-3-methoxypropanoic acid?
The IUPAC name of 2-[[2-(diethylamino)-2-phenylethyl]amino]-3-methoxypropanoic acid (CID 103235339) is 2-[[2-(diethylamino)-2-phenylethyl]amino]-3-methoxypropanoic acid.
What is the SMILES notation for 2-[[2-(diethylamino)-2-phenylethyl]amino]-3-methoxypropanoic acid?
The canonical SMILES for 2-[[2-(diethylamino)-2-phenylethyl]amino]-3-methoxypropanoic acid is CCN(CC)C(CNC(COC)C(=O)O)c1ccccc1.
What is the InChIKey of 2-[[2-(diethylamino)-2-phenylethyl]amino]-3-methoxypropanoic acid?
The InChIKey is CFNVSOKLDXBTGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-4-18(5-2)15(13-9-7-6-8-10-13)11-17-14(12-21-3)16(19)20/h6-10,14-15,17H,4-5,11-12H2,1-3H3,(H,19,20).
What are the key properties of 2-[[2-(diethylamino)-2-phenylethyl]amino]-3-methoxypropanoic acid?
2-[[2-(diethylamino)-2-phenylethyl]amino]-3-methoxypropanoic acid has a molecular weight of 294.39 g/mol, XLogP of 1.76, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(diethylamino)-2-phenylethyl]amino]-3-methoxypropanoic acid is sourced from PubChem (CID 103235339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).