(2R)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoic acid

C17H17NO4 — CID 675678

IUPAC(2R)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoic acid
SMILESO=C(N[C@H](Cc1ccccc1)C(=O)O)OCc1ccccc1
InChIInChI=1S/C17H17NO4/c19-16(20)15(11-13-7-3-1-4-8-13)18-17(21)22-12-14-9-5-2-6-10-14/h1-10,15H,11-12H2,(H,18,21)(H,19,20)/t15-/m1/s1
InChIKeyRRONHWAVOYADJL-OAHLLOKOSA-N
MW299.33 g/mol
LogP2.61
Rot. Bonds6

About (2R)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoic acid

(2R)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoic acid (PubChem CID 675678) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is (2R)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoic acid.

Molecular Properties

Compound Name(2R)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoic acid
PubChem CID675678
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC Name(2R)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoic acid
SMILESO=C(N[C@H](Cc1ccccc1)C(=O)O)OCc1ccccc1
InChIInChI=1S/C17H17NO4/c19-16(20)15(11-13-7-3-1-4-8-13)18-17(21)22-12-14-9-5-2-6-10-14/h1-10,15H,11-12H2,(H,18,21)(H,19,20)/t15-/m1/s1
InChIKeyRRONHWAVOYADJL-OAHLLOKOSA-N
XLogP2.61
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoic acid?
The IUPAC name of (2R)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoic acid (CID 675678) is (2R)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoic acid.
What is the SMILES notation for (2R)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoic acid?
The canonical SMILES for (2R)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoic acid is O=C(N[C@H](Cc1ccccc1)C(=O)O)OCc1ccccc1.
What is the InChIKey of (2R)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoic acid?
The InChIKey is RRONHWAVOYADJL-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H17NO4/c19-16(20)15(11-13-7-3-1-4-8-13)18-17(21)22-12-14-9-5-2-6-10-14/h1-10,15H,11-12H2,(H,18,21)(H,19,20)/t15-/m1/s1.
What are the key properties of (2R)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoic acid?
(2R)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoic acid has a molecular weight of 299.33 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoic acid is sourced from PubChem (CID 675678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).