2-[carboxymethyl(3-phenylpropyl)amino]acetic acid

C13H17NO4 — CID 747006

IUPAC2-[carboxymethyl(3-phenylpropyl)amino]acetic acid
SMILESO=C(O)CN(CCCc1ccccc1)CC(=O)O
InChIInChI=1S/C13H17NO4/c15-12(16)9-14(10-13(17)18)8-4-7-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2,(H,15,16)(H,17,18)
InChIKeyUYGNATLCLXEGCB-UHFFFAOYSA-N
MW251.28 g/mol
LogP1.09
Rot. Bonds8

About 2-[carboxymethyl(3-phenylpropyl)amino]acetic acid

2-[carboxymethyl(3-phenylpropyl)amino]acetic acid (PubChem CID 747006) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is 2-[carboxymethyl(3-phenylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl(3-phenylpropyl)amino]acetic acid
PubChem CID747006
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name2-[carboxymethyl(3-phenylpropyl)amino]acetic acid
SMILESO=C(O)CN(CCCc1ccccc1)CC(=O)O
InChIInChI=1S/C13H17NO4/c15-12(16)9-14(10-13(17)18)8-4-7-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2,(H,15,16)(H,17,18)
InChIKeyUYGNATLCLXEGCB-UHFFFAOYSA-N
XLogP1.09
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl(3-phenylpropyl)amino]acetic acid?
The IUPAC name of 2-[carboxymethyl(3-phenylpropyl)amino]acetic acid (CID 747006) is 2-[carboxymethyl(3-phenylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl(3-phenylpropyl)amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl(3-phenylpropyl)amino]acetic acid is O=C(O)CN(CCCc1ccccc1)CC(=O)O.
What is the InChIKey of 2-[carboxymethyl(3-phenylpropyl)amino]acetic acid?
The InChIKey is UYGNATLCLXEGCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c15-12(16)9-14(10-13(17)18)8-4-7-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2,(H,15,16)(H,17,18).
What are the key properties of 2-[carboxymethyl(3-phenylpropyl)amino]acetic acid?
2-[carboxymethyl(3-phenylpropyl)amino]acetic acid has a molecular weight of 251.28 g/mol, XLogP of 1.09, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl(3-phenylpropyl)amino]acetic acid is sourced from PubChem (CID 747006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).