3-[ethyl(1-phenylpropan-2-yl)amino]-2-methylpropanoic acid

C15H23NO2 — CID 65060873

IUPAC3-[ethyl(1-phenylpropan-2-yl)amino]-2-methylpropanoic acid
SMILESCCN(CC(C)C(=O)O)C(C)Cc1ccccc1
InChIInChI=1S/C15H23NO2/c1-4-16(11-12(2)15(17)18)13(3)10-14-8-6-5-7-9-14/h5-9,12-13H,4,10-11H2,1-3H3,(H,17,18)
InChIKeyGZQRHDNZILJKHJ-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.66
Rot. Bonds7

About 3-[ethyl(1-phenylpropan-2-yl)amino]-2-methylpropanoic acid

3-[ethyl(1-phenylpropan-2-yl)amino]-2-methylpropanoic acid (PubChem CID 65060873) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 3-[ethyl(1-phenylpropan-2-yl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[ethyl(1-phenylpropan-2-yl)amino]-2-methylpropanoic acid
PubChem CID65060873
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name3-[ethyl(1-phenylpropan-2-yl)amino]-2-methylpropanoic acid
SMILESCCN(CC(C)C(=O)O)C(C)Cc1ccccc1
InChIInChI=1S/C15H23NO2/c1-4-16(11-12(2)15(17)18)13(3)10-14-8-6-5-7-9-14/h5-9,12-13H,4,10-11H2,1-3H3,(H,17,18)
InChIKeyGZQRHDNZILJKHJ-UHFFFAOYSA-N
XLogP2.66
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 ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-diethyl-1-phenylpropan-2-amine
CID 521361
3-[ethyl-(2-methyl-1-phenylpropyl)amino]-2-methylpropanoic acid
CID 65061408
ethane;2-methyl-3-phenylpropanoic acid
CID 90856303
calcium 2-methyl-3-phenylpropanoic acid
CID 51348696
3-[ethyl-(3-methyl-1-phenylbutyl)amino]-2-methylpropanoic acid
CID 65061851
3-[ethyl(1-naphthalen-1-ylethyl)amino]-2-methylpropanoic acid
CID 65060972
N,N'-diethyl-N-[2-[ethyl-[(2R)-1-phenylpropan-2-yl]amino]ethyl]-N'-[(2R)-1-phenylpropan-2-yl]ethane-1,2-diamine
CID 59895630
2-(diethylamino)-4-methyl-1-phenylpentan-3-one;ethane
CID 145053921
3-[ethyl-[1-(4-propan-2-ylphenyl)ethyl]amino]-2-methylpropanoic acid
CID 65060726
3-[ethyl(3-phenylpropyl)amino]-2-methylpropanoic acid
CID 62853866
3-[1-carboxyethyl(3-phenylpropyl)amino]-2-methylpropanoic acid
CID 82329065
(2S)-3-[benzyl(propanoyl)amino]-2-methylpropanoic acid
CID 95537487

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(1-phenylpropan-2-yl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[ethyl(1-phenylpropan-2-yl)amino]-2-methylpropanoic acid (CID 65060873) is 3-[ethyl(1-phenylpropan-2-yl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[ethyl(1-phenylpropan-2-yl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[ethyl(1-phenylpropan-2-yl)amino]-2-methylpropanoic acid is CCN(CC(C)C(=O)O)C(C)Cc1ccccc1.
What is the InChIKey of 3-[ethyl(1-phenylpropan-2-yl)amino]-2-methylpropanoic acid?
The InChIKey is GZQRHDNZILJKHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-4-16(11-12(2)15(17)18)13(3)10-14-8-6-5-7-9-14/h5-9,12-13H,4,10-11H2,1-3H3,(H,17,18).
What are the key properties of 3-[ethyl(1-phenylpropan-2-yl)amino]-2-methylpropanoic acid?
3-[ethyl(1-phenylpropan-2-yl)amino]-2-methylpropanoic acid has a molecular weight of 249.35 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(1-phenylpropan-2-yl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 65060873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).