(3R)-3-[bis(carboxymethyl)amino]-3-phenylpropanoic acid

C13H15NO6 — CID 7375300

IUPAC(3R)-3-[bis(carboxymethyl)amino]-3-phenylpropanoic acid
SMILESO=C(O)C[C@H](c1ccccc1)N(CC(=O)O)CC(=O)O
InChIInChI=1S/C13H15NO6/c15-11(16)6-10(9-4-2-1-3-5-9)14(7-12(17)18)8-13(19)20/h1-5,10H,6-8H2,(H,15,16)(H,17,18)(H,19,20)/t10-/m1/s1
InChIKeyWGVLFZVYUOLBNN-SNVBAGLBSA-N
MW281.26 g/mol
LogP0.67
Rot. Bonds8

About (3R)-3-[bis(carboxymethyl)amino]-3-phenylpropanoic acid

(3R)-3-[bis(carboxymethyl)amino]-3-phenylpropanoic acid (PubChem CID 7375300) has the molecular formula C13H15NO6 and a molecular weight of 281.26 g/mol. Its IUPAC name is (3R)-3-[bis(carboxymethyl)amino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name(3R)-3-[bis(carboxymethyl)amino]-3-phenylpropanoic acid
PubChem CID7375300
Molecular FormulaC13H15NO6
Molecular Weight281.26 g/mol
Exact Mass281.09
IUPAC Name(3R)-3-[bis(carboxymethyl)amino]-3-phenylpropanoic acid
SMILESO=C(O)C[C@H](c1ccccc1)N(CC(=O)O)CC(=O)O
InChIInChI=1S/C13H15NO6/c15-11(16)6-10(9-4-2-1-3-5-9)14(7-12(17)18)8-13(19)20/h1-5,10H,6-8H2,(H,15,16)(H,17,18)(H,19,20)/t10-/m1/s1
InChIKeyWGVLFZVYUOLBNN-SNVBAGLBSA-N
XLogP0.67
TPSA115.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.26
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[bis(carboxymethyl)amino]-3-phenylpropanoic acid?
The IUPAC name of (3R)-3-[bis(carboxymethyl)amino]-3-phenylpropanoic acid (CID 7375300) is (3R)-3-[bis(carboxymethyl)amino]-3-phenylpropanoic acid.
What is the SMILES notation for (3R)-3-[bis(carboxymethyl)amino]-3-phenylpropanoic acid?
The canonical SMILES for (3R)-3-[bis(carboxymethyl)amino]-3-phenylpropanoic acid is O=C(O)C[C@H](c1ccccc1)N(CC(=O)O)CC(=O)O.
What is the InChIKey of (3R)-3-[bis(carboxymethyl)amino]-3-phenylpropanoic acid?
The InChIKey is WGVLFZVYUOLBNN-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H15NO6/c15-11(16)6-10(9-4-2-1-3-5-9)14(7-12(17)18)8-13(19)20/h1-5,10H,6-8H2,(H,15,16)(H,17,18)(H,19,20)/t10-/m1/s1.
What are the key properties of (3R)-3-[bis(carboxymethyl)amino]-3-phenylpropanoic acid?
(3R)-3-[bis(carboxymethyl)amino]-3-phenylpropanoic acid has a molecular weight of 281.26 g/mol, XLogP of 0.67, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[bis(carboxymethyl)amino]-3-phenylpropanoic acid is sourced from PubChem (CID 7375300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).