(2R)-2-(carboxymethylamino)-3-phenylpropanoic acid

C11H13NO4 — CID 919929

IUPAC(2R)-2-(carboxymethylamino)-3-phenylpropanoic acid
SMILESO=C(O)CN[C@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C11H13NO4/c13-10(14)7-12-9(11(15)16)6-8-4-2-1-3-5-8/h1-5,9,12H,6-7H2,(H,13,14)(H,15,16)/t9-/m1/s1
InChIKeyFVQDAMVODWHNOJ-SECBINFHSA-N
MW223.23 g/mol
LogP0.36
Rot. Bonds6

About (2R)-2-(carboxymethylamino)-3-phenylpropanoic acid

(2R)-2-(carboxymethylamino)-3-phenylpropanoic acid (PubChem CID 919929) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is (2R)-2-(carboxymethylamino)-3-phenylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-(carboxymethylamino)-3-phenylpropanoic acid
PubChem CID919929
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Name(2R)-2-(carboxymethylamino)-3-phenylpropanoic acid
SMILESO=C(O)CN[C@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C11H13NO4/c13-10(14)7-12-9(11(15)16)6-8-4-2-1-3-5-8/h1-5,9,12H,6-7H2,(H,13,14)(H,15,16)/t9-/m1/s1
InChIKeyFVQDAMVODWHNOJ-SECBINFHSA-N
XLogP0.36
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(carboxymethylamino)-3-phenylpropanoic acid?
The IUPAC name of (2R)-2-(carboxymethylamino)-3-phenylpropanoic acid (CID 919929) is (2R)-2-(carboxymethylamino)-3-phenylpropanoic acid.
What is the SMILES notation for (2R)-2-(carboxymethylamino)-3-phenylpropanoic acid?
The canonical SMILES for (2R)-2-(carboxymethylamino)-3-phenylpropanoic acid is O=C(O)CN[C@H](Cc1ccccc1)C(=O)O.
What is the InChIKey of (2R)-2-(carboxymethylamino)-3-phenylpropanoic acid?
The InChIKey is FVQDAMVODWHNOJ-SECBINFHSA-N. The full InChI is InChI=1S/C11H13NO4/c13-10(14)7-12-9(11(15)16)6-8-4-2-1-3-5-8/h1-5,9,12H,6-7H2,(H,13,14)(H,15,16)/t9-/m1/s1.
What are the key properties of (2R)-2-(carboxymethylamino)-3-phenylpropanoic acid?
(2R)-2-(carboxymethylamino)-3-phenylpropanoic acid has a molecular weight of 223.23 g/mol, XLogP of 0.36, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(carboxymethylamino)-3-phenylpropanoic acid is sourced from PubChem (CID 919929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).