2-[carboxymethyl-[1-(4-ethylphenyl)ethyl]amino]acetic acid

C14H19NO4 — CID 65065586

IUPAC2-[carboxymethyl-[1-(4-ethylphenyl)ethyl]amino]acetic acid
SMILESCCc1ccc(C(C)N(CC(=O)O)CC(=O)O)cc1
InChIInChI=1S/C14H19NO4/c1-3-11-4-6-12(7-5-11)10(2)15(8-13(16)17)9-14(18)19/h4-7,10H,3,8-9H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyBHEVPPMEUMGIHC-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.78
Rot. Bonds7

About 2-[carboxymethyl-[1-(4-ethylphenyl)ethyl]amino]acetic acid

2-[carboxymethyl-[1-(4-ethylphenyl)ethyl]amino]acetic acid (PubChem CID 65065586) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[carboxymethyl-[1-(4-ethylphenyl)ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl-[1-(4-ethylphenyl)ethyl]amino]acetic acid
PubChem CID65065586
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name2-[carboxymethyl-[1-(4-ethylphenyl)ethyl]amino]acetic acid
SMILESCCc1ccc(C(C)N(CC(=O)O)CC(=O)O)cc1
InChIInChI=1S/C14H19NO4/c1-3-11-4-6-12(7-5-11)10(2)15(8-13(16)17)9-14(18)19/h4-7,10H,3,8-9H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyBHEVPPMEUMGIHC-UHFFFAOYSA-N
XLogP1.78
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[carboxymethyl-[1-(4-propan-2-ylphenyl)ethyl]amino]acetic acid
CID 65065744
2-[carboxymethyl-[1-(4-cyanophenyl)ethyl]amino]acetic acid
CID 65065694
2-[2-(dimethylamino)ethyl-[1-(4-propylphenyl)ethyl]amino]acetic acid
CID 107426164
2-[propan-2-yl-[(4-propan-2-ylphenyl)methyl]amino]acetic acid
CID 39352014
2-[1-(4-bromophenyl)ethyl-propylamino]acetic acid
CID 65064536
2-[2-(dimethylamino)ethyl-[1-(4-propan-2-ylphenyl)ethyl]amino]acetic acid
CID 107426146
2-[1-(4-ethoxyphenyl)ethyl-(2-methylpropyl)amino]acetic acid
CID 65063803
2-[butan-2-yl-[2-(4-ethylanilino)-2-oxoethyl]amino]acetic acid
CID 60833576
2-[pentyl(1-phenylethyl)amino]acetic acid
CID 70551743
2-[1-(4-methylphenyl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79266261
2-[2-methylpropyl-[1-(4-propan-2-yloxyphenyl)ethyl]amino]acetic acid
CID 65063760
2-[1-(4-ethoxyphenyl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79263710

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl-[1-(4-ethylphenyl)ethyl]amino]acetic acid?
The IUPAC name of 2-[carboxymethyl-[1-(4-ethylphenyl)ethyl]amino]acetic acid (CID 65065586) is 2-[carboxymethyl-[1-(4-ethylphenyl)ethyl]amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl-[1-(4-ethylphenyl)ethyl]amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl-[1-(4-ethylphenyl)ethyl]amino]acetic acid is CCc1ccc(C(C)N(CC(=O)O)CC(=O)O)cc1.
What is the InChIKey of 2-[carboxymethyl-[1-(4-ethylphenyl)ethyl]amino]acetic acid?
The InChIKey is BHEVPPMEUMGIHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-3-11-4-6-12(7-5-11)10(2)15(8-13(16)17)9-14(18)19/h4-7,10H,3,8-9H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 2-[carboxymethyl-[1-(4-ethylphenyl)ethyl]amino]acetic acid?
2-[carboxymethyl-[1-(4-ethylphenyl)ethyl]amino]acetic acid has a molecular weight of 265.31 g/mol, XLogP of 1.78, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl-[1-(4-ethylphenyl)ethyl]amino]acetic acid is sourced from PubChem (CID 65065586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).