3-[ethyl(2-methylpropyl)amino]-3-phenylpropanoic acid

C15H23NO2 — CID 63067218

IUPAC3-[ethyl(2-methylpropyl)amino]-3-phenylpropanoic acid
SMILESCCN(CC(C)C)C(CC(=O)O)c1ccccc1
InChIInChI=1S/C15H23NO2/c1-4-16(11-12(2)3)14(10-15(17)18)13-8-6-5-7-9-13/h5-9,12,14H,4,10-11H2,1-3H3,(H,17,18)
InChIKeyOUAWAJZQYCNKTF-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.18
Rot. Bonds7

About 3-[ethyl(2-methylpropyl)amino]-3-phenylpropanoic acid

3-[ethyl(2-methylpropyl)amino]-3-phenylpropanoic acid (PubChem CID 63067218) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 3-[ethyl(2-methylpropyl)amino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name3-[ethyl(2-methylpropyl)amino]-3-phenylpropanoic acid
PubChem CID63067218
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name3-[ethyl(2-methylpropyl)amino]-3-phenylpropanoic acid
SMILESCCN(CC(C)C)C(CC(=O)O)c1ccccc1
InChIInChI=1S/C15H23NO2/c1-4-16(11-12(2)3)14(10-15(17)18)13-8-6-5-7-9-13/h5-9,12,14H,4,10-11H2,1-3H3,(H,17,18)
InChIKeyOUAWAJZQYCNKTF-UHFFFAOYSA-N
XLogP3.18
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[ethyl(2-ethylbutyl)amino]-3-phenylpropanoic acid
CID 63074344
N-ethyl-N-(2-methylpropyl)-1-phenyl-N'-propan-2-ylethane-1,2-diamine
CID 62422185
(3R)-3-[bis(carboxymethyl)amino]-3-phenylpropanoic acid
CID 7375300
3-[ethyl-(3-methyl-1-phenylbutyl)amino]-2-methylpropanoic acid
CID 65061851
2-[ethyl-(3-methyl-1-phenylbutyl)amino]acetic acid
CID 65063538
3-(4-bromophenyl)-3-(diethylamino)propanoic acid
CID 64527008
N-ethyl-N-(2-methylpropyl)-1-phenyl-N'-propylethane-1,2-diamine
CID 62422184
3-(diethylamino)-3-(3-methylphenyl)propanoic acid
CID 64526213
3-[methyl(propan-2-yl)amino]-3-phenylpropanoic acid
CID 63068759
N'-cyclopropyl-N-ethyl-N-(2-methylpropyl)-1-phenylethane-1,2-diamine
CID 62422186
3-[ethyl(1-phenylbutyl)amino]butanoic acid
CID 65061148
3-[2-methylpropyl(1-phenylethyl)amino]propanoic acid
CID 82328958

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(2-methylpropyl)amino]-3-phenylpropanoic acid?
The IUPAC name of 3-[ethyl(2-methylpropyl)amino]-3-phenylpropanoic acid (CID 63067218) is 3-[ethyl(2-methylpropyl)amino]-3-phenylpropanoic acid.
What is the SMILES notation for 3-[ethyl(2-methylpropyl)amino]-3-phenylpropanoic acid?
The canonical SMILES for 3-[ethyl(2-methylpropyl)amino]-3-phenylpropanoic acid is CCN(CC(C)C)C(CC(=O)O)c1ccccc1.
What is the InChIKey of 3-[ethyl(2-methylpropyl)amino]-3-phenylpropanoic acid?
The InChIKey is OUAWAJZQYCNKTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-4-16(11-12(2)3)14(10-15(17)18)13-8-6-5-7-9-13/h5-9,12,14H,4,10-11H2,1-3H3,(H,17,18).
What are the key properties of 3-[ethyl(2-methylpropyl)amino]-3-phenylpropanoic acid?
3-[ethyl(2-methylpropyl)amino]-3-phenylpropanoic acid has a molecular weight of 249.35 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(2-methylpropyl)amino]-3-phenylpropanoic acid is sourced from PubChem (CID 63067218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).