2-(ethylamino)-3-[methyl(2-phenylethyl)amino]propanoic acid

C14H22N2O2 — CID 65485946

IUPAC2-(ethylamino)-3-[methyl(2-phenylethyl)amino]propanoic acid
SMILESCCNC(CN(C)CCc1ccccc1)C(=O)O
InChIInChI=1S/C14H22N2O2/c1-3-15-13(14(17)18)11-16(2)10-9-12-7-5-4-6-8-12/h4-8,13,15H,3,9-11H2,1-2H3,(H,17,18)
InChIKeyBLVYXVMMDYLTBR-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.22
Rot. Bonds8

About 2-(ethylamino)-3-[methyl(2-phenylethyl)amino]propanoic acid

2-(ethylamino)-3-[methyl(2-phenylethyl)amino]propanoic acid (PubChem CID 65485946) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-(ethylamino)-3-[methyl(2-phenylethyl)amino]propanoic acid.

Molecular Properties

Compound Name2-(ethylamino)-3-[methyl(2-phenylethyl)amino]propanoic acid
PubChem CID65485946
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-(ethylamino)-3-[methyl(2-phenylethyl)amino]propanoic acid
SMILESCCNC(CN(C)CCc1ccccc1)C(=O)O
InChIInChI=1S/C14H22N2O2/c1-3-15-13(14(17)18)11-16(2)10-9-12-7-5-4-6-8-12/h4-8,13,15H,3,9-11H2,1-2H3,(H,17,18)
InChIKeyBLVYXVMMDYLTBR-UHFFFAOYSA-N
XLogP1.22
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(ethylamino)-3-[methyl(2-phenylethyl)amino]propanamide
CID 65487669
methyl 2-(ethylamino)-3-[methyl(2-phenylethyl)amino]propanoate
CID 65487284
2-N-ethyl-1-N-methyl-1-N-(2-phenylethyl)butane-1,2-diamine
CID 65487022
(2R)-2-(ethylamino)-5-phenylpentanoic acid
CID 151918023
methyl 2-methyl-3-[methyl(2-phenylethyl)amino]propanoate
CID 62011888
ethyl 3-[methyl(2-phenylethyl)amino]-2-(propan-2-ylamino)propanoate
CID 65486141
1-N,2-N-dimethyl-1-N-(2-phenylethyl)propane-1,2-diamine
CID 20979710
1-[methyl(2-phenylethyl)amino]pentan-2-one
CID 65486864
3-[2-(3-chlorophenyl)ethyl-methylamino]-2-methylpropanoic acid
CID 112510600
2-(ethylamino)-4-oxo-4-phenylbutanoic acid
CID 23008759
N-butan-2-yl-N'-methyl-N'-(2-phenylethyl)ethane-1,2-diamine
CID 65487888
2-methyl-3-[2-methylpropyl(2-phenylethyl)amino]propanoic acid
CID 82328998

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-3-[methyl(2-phenylethyl)amino]propanoic acid?
The IUPAC name of 2-(ethylamino)-3-[methyl(2-phenylethyl)amino]propanoic acid (CID 65485946) is 2-(ethylamino)-3-[methyl(2-phenylethyl)amino]propanoic acid.
What is the SMILES notation for 2-(ethylamino)-3-[methyl(2-phenylethyl)amino]propanoic acid?
The canonical SMILES for 2-(ethylamino)-3-[methyl(2-phenylethyl)amino]propanoic acid is CCNC(CN(C)CCc1ccccc1)C(=O)O.
What is the InChIKey of 2-(ethylamino)-3-[methyl(2-phenylethyl)amino]propanoic acid?
The InChIKey is BLVYXVMMDYLTBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-3-15-13(14(17)18)11-16(2)10-9-12-7-5-4-6-8-12/h4-8,13,15H,3,9-11H2,1-2H3,(H,17,18).
What are the key properties of 2-(ethylamino)-3-[methyl(2-phenylethyl)amino]propanoic acid?
2-(ethylamino)-3-[methyl(2-phenylethyl)amino]propanoic acid has a molecular weight of 250.34 g/mol, XLogP of 1.22, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-3-[methyl(2-phenylethyl)amino]propanoic acid is sourced from PubChem (CID 65485946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).