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

C16H26N2O2 — CID 107426148

IUPAC2-[2-(dimethylamino)ethyl-(3-phenylbutyl)amino]acetic acid
SMILESCC(CCN(CCN(C)C)CC(=O)O)c1ccccc1
InChIInChI=1S/C16H26N2O2/c1-14(15-7-5-4-6-8-15)9-10-18(13-16(19)20)12-11-17(2)3/h4-8,14H,9-13H2,1-3H3,(H,19,20)
InChIKeySTZGOHOOKHCOEN-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.13
Rot. Bonds9

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

2-[2-(dimethylamino)ethyl-(3-phenylbutyl)amino]acetic acid (PubChem CID 107426148) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl-(3-phenylbutyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl-(3-phenylbutyl)amino]acetic acid
PubChem CID107426148
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-[2-(dimethylamino)ethyl-(3-phenylbutyl)amino]acetic acid
SMILESCC(CCN(CCN(C)C)CC(=O)O)c1ccccc1
InChIInChI=1S/C16H26N2O2/c1-14(15-7-5-4-6-8-15)9-10-18(13-16(19)20)12-11-17(2)3/h4-8,14H,9-13H2,1-3H3,(H,19,20)
InChIKeySTZGOHOOKHCOEN-UHFFFAOYSA-N
XLogP2.13
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-ethyl-N,N-dimethyl-N'-[(3S)-3-phenylbutyl]ethane-1,2-diamine
CID 2059338
3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-phenylpropanoic acid
CID 63068325
2-[(3-anilino-3-oxopropyl)-[2-(dimethylamino)ethyl]amino]acetic acid
CID 107425180
2-[2-(dimethylamino)ethyl-[2-(2-methoxyphenoxy)ethyl]amino]acetic acid
CID 107425771
4-[3-phenylbutyl(propan-2-yl)amino]butanoic acid
CID 65058636
(3R)-N-benzyl-N-methyl-3-phenylbutan-1-amine;hydrate
CID 66524871
2-[2-(dimethylamino)ethyl-[1-(4-propan-2-ylphenyl)ethyl]amino]acetic acid
CID 107426146
2-[2-methylpropyl(3-phenoxypropyl)amino]acetic acid
CID 63064164
3-phenyl-N-(3-phenylbutyl)-N-propan-2-ylbutan-1-amine
CID 15365768
2-[2-aminoethyl-[2-(dimethylamino)ethyl]amino]acetic acid
CID 107425136
2-[[(3R)-3-aminobutyl]-benzylamino]acetic acid
CID 156632767
2-[2-(dimethylamino)ethyl-(thiophen-2-ylmethyl)amino]acetic acid
CID 107425908

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl-(3-phenylbutyl)amino]acetic acid?
The IUPAC name of 2-[2-(dimethylamino)ethyl-(3-phenylbutyl)amino]acetic acid (CID 107426148) is 2-[2-(dimethylamino)ethyl-(3-phenylbutyl)amino]acetic acid.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl-(3-phenylbutyl)amino]acetic acid?
The canonical SMILES for 2-[2-(dimethylamino)ethyl-(3-phenylbutyl)amino]acetic acid is CC(CCN(CCN(C)C)CC(=O)O)c1ccccc1.
What is the InChIKey of 2-[2-(dimethylamino)ethyl-(3-phenylbutyl)amino]acetic acid?
The InChIKey is STZGOHOOKHCOEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-14(15-7-5-4-6-8-15)9-10-18(13-16(19)20)12-11-17(2)3/h4-8,14H,9-13H2,1-3H3,(H,19,20).
What are the key properties of 2-[2-(dimethylamino)ethyl-(3-phenylbutyl)amino]acetic acid?
2-[2-(dimethylamino)ethyl-(3-phenylbutyl)amino]acetic acid has a molecular weight of 278.40 g/mol, XLogP of 2.13, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl-(3-phenylbutyl)amino]acetic acid is sourced from PubChem (CID 107426148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).