(2R)-3-naphthalen-2-yl-2-(phenylmethoxycarbonylamino)propanoic acid

C21H19NO4 — CID 7018899

IUPAC(2R)-3-naphthalen-2-yl-2-(phenylmethoxycarbonylamino)propanoic acid
SMILESO=C(N[C@H](Cc1ccc2ccccc2c1)C(=O)O)OCc1ccccc1
InChIInChI=1S/C21H19NO4/c23-20(24)19(22-21(25)26-14-15-6-2-1-3-7-15)13-16-10-11-17-8-4-5-9-18(17)12-16/h1-12,19H,13-14H2,(H,22,25)(H,23,24)/t19-/m1/s1
InChIKeyXBRPIBMAJOTVHG-LJQANCHMSA-N
MW349.39 g/mol
LogP3.76
Rot. Bonds6

About (2R)-3-naphthalen-2-yl-2-(phenylmethoxycarbonylamino)propanoic acid

(2R)-3-naphthalen-2-yl-2-(phenylmethoxycarbonylamino)propanoic acid (PubChem CID 7018899) has the molecular formula C21H19NO4 and a molecular weight of 349.39 g/mol. Its IUPAC name is (2R)-3-naphthalen-2-yl-2-(phenylmethoxycarbonylamino)propanoic acid.

Molecular Properties

Compound Name(2R)-3-naphthalen-2-yl-2-(phenylmethoxycarbonylamino)propanoic acid
PubChem CID7018899
Molecular FormulaC21H19NO4
Molecular Weight349.39 g/mol
Exact Mass349.13
IUPAC Name(2R)-3-naphthalen-2-yl-2-(phenylmethoxycarbonylamino)propanoic acid
SMILESO=C(N[C@H](Cc1ccc2ccccc2c1)C(=O)O)OCc1ccccc1
InChIInChI=1S/C21H19NO4/c23-20(24)19(22-21(25)26-14-15-6-2-1-3-7-15)13-16-10-11-17-8-4-5-9-18(17)12-16/h1-12,19H,13-14H2,(H,22,25)(H,23,24)/t19-/m1/s1
InChIKeyXBRPIBMAJOTVHG-LJQANCHMSA-N
XLogP3.76
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-naphthalen-2-yl-2-(phenylmethoxycarbonylamino)propanoic acid?
The IUPAC name of (2R)-3-naphthalen-2-yl-2-(phenylmethoxycarbonylamino)propanoic acid (CID 7018899) is (2R)-3-naphthalen-2-yl-2-(phenylmethoxycarbonylamino)propanoic acid.
What is the SMILES notation for (2R)-3-naphthalen-2-yl-2-(phenylmethoxycarbonylamino)propanoic acid?
The canonical SMILES for (2R)-3-naphthalen-2-yl-2-(phenylmethoxycarbonylamino)propanoic acid is O=C(N[C@H](Cc1ccc2ccccc2c1)C(=O)O)OCc1ccccc1.
What is the InChIKey of (2R)-3-naphthalen-2-yl-2-(phenylmethoxycarbonylamino)propanoic acid?
The InChIKey is XBRPIBMAJOTVHG-LJQANCHMSA-N. The full InChI is InChI=1S/C21H19NO4/c23-20(24)19(22-21(25)26-14-15-6-2-1-3-7-15)13-16-10-11-17-8-4-5-9-18(17)12-16/h1-12,19H,13-14H2,(H,22,25)(H,23,24)/t19-/m1/s1.
What are the key properties of (2R)-3-naphthalen-2-yl-2-(phenylmethoxycarbonylamino)propanoic acid?
(2R)-3-naphthalen-2-yl-2-(phenylmethoxycarbonylamino)propanoic acid has a molecular weight of 349.39 g/mol, XLogP of 3.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-naphthalen-2-yl-2-(phenylmethoxycarbonylamino)propanoic acid is sourced from PubChem (CID 7018899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).