2-[ethyl-(3-methyl-1-phenylbutyl)amino]acetic acid

C15H23NO2 — CID 65063538

IUPAC2-[ethyl-(3-methyl-1-phenylbutyl)amino]acetic acid
SMILESCCN(CC(=O)O)C(CC(C)C)c1ccccc1
InChIInChI=1S/C15H23NO2/c1-4-16(11-15(17)18)14(10-12(2)3)13-8-6-5-7-9-13/h5-9,12,14H,4,10-11H2,1-3H3,(H,17,18)
InChIKeyPQQSZQNNBZMYCW-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.18
Rot. Bonds7

About 2-[ethyl-(3-methyl-1-phenylbutyl)amino]acetic acid

2-[ethyl-(3-methyl-1-phenylbutyl)amino]acetic acid (PubChem CID 65063538) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-[ethyl-(3-methyl-1-phenylbutyl)amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-(3-methyl-1-phenylbutyl)amino]acetic acid
PubChem CID65063538
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-[ethyl-(3-methyl-1-phenylbutyl)amino]acetic acid
SMILESCCN(CC(=O)O)C(CC(C)C)c1ccccc1
InChIInChI=1S/C15H23NO2/c1-4-16(11-15(17)18)14(10-12(2)3)13-8-6-5-7-9-13/h5-9,12,14H,4,10-11H2,1-3H3,(H,17,18)
InChIKeyPQQSZQNNBZMYCW-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-(3-methyl-1-phenylbutyl)amino]-2-methylpropanoic acid
CID 65061851
3-[ethyl(2-methylpropyl)amino]-3-phenylpropanoic acid
CID 63067218
(3R)-3-[bis(carboxymethyl)amino]-3-phenylpropanoic acid
CID 7375300
2-[(2-amino-1-phenylethyl)-ethylamino]acetamide
CID 103101334
2-[[2-[bis(carboxymethyl)amino]-2-phenylethyl]-(carboxymethyl)amino]acetic acid
CID 14550244
2-[ethyl-[1-(2-hydroxyphenyl)ethyl]amino]acetic acid
CID 65063433
(2R)-2-(diethylamino)-2-phenylethanol
CID 13119692
2-[[(1R)-2-hydroxy-1-phenylethyl]-undecylamino]acetic acid
CID 101244047
2-[pentyl(1-phenylethyl)amino]acetic acid
CID 70551743
3-[ethyl(2-ethylbutyl)amino]-3-phenylpropanoic acid
CID 63074344
2-[[2-(diethylamino)-2-phenylethyl]carbamoylamino]acetic acid
CID 43445777
2-[ethyl-(3-methyl-2-phenylpentanoyl)amino]acetic acid
CID 61021604

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(3-methyl-1-phenylbutyl)amino]acetic acid?
The IUPAC name of 2-[ethyl-(3-methyl-1-phenylbutyl)amino]acetic acid (CID 65063538) is 2-[ethyl-(3-methyl-1-phenylbutyl)amino]acetic acid.
What is the SMILES notation for 2-[ethyl-(3-methyl-1-phenylbutyl)amino]acetic acid?
The canonical SMILES for 2-[ethyl-(3-methyl-1-phenylbutyl)amino]acetic acid is CCN(CC(=O)O)C(CC(C)C)c1ccccc1.
What is the InChIKey of 2-[ethyl-(3-methyl-1-phenylbutyl)amino]acetic acid?
The InChIKey is PQQSZQNNBZMYCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-4-16(11-15(17)18)14(10-12(2)3)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 2-[ethyl-(3-methyl-1-phenylbutyl)amino]acetic acid?
2-[ethyl-(3-methyl-1-phenylbutyl)amino]acetic 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 2-[ethyl-(3-methyl-1-phenylbutyl)amino]acetic acid is sourced from PubChem (CID 65063538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).