(2R)-2-benzyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

C15H21NO4 — CID 7176387

IUPAC(2R)-2-benzyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
SMILESCC(C)(C)OC(=O)NC[C@@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C15H21NO4/c1-15(2,3)20-14(19)16-10-12(13(17)18)9-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,16,19)(H,17,18)/t12-/m1/s1
InChIKeyZYCITKXROAFBAR-GFCCVEGCSA-N
MW279.34 g/mol
LogP2.45
Rot. Bonds5

About (2R)-2-benzyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

(2R)-2-benzyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid (PubChem CID 7176387) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is (2R)-2-benzyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-benzyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
PubChem CID7176387
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name(2R)-2-benzyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
SMILESCC(C)(C)OC(=O)NC[C@@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C15H21NO4/c1-15(2,3)20-14(19)16-10-12(13(17)18)9-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,16,19)(H,17,18)/t12-/m1/s1
InChIKeyZYCITKXROAFBAR-GFCCVEGCSA-N
XLogP2.45
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-benzyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid?
The IUPAC name of (2R)-2-benzyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid (CID 7176387) is (2R)-2-benzyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid.
What is the SMILES notation for (2R)-2-benzyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid?
The canonical SMILES for (2R)-2-benzyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid is CC(C)(C)OC(=O)NC[C@@H](Cc1ccccc1)C(=O)O.
What is the InChIKey of (2R)-2-benzyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid?
The InChIKey is ZYCITKXROAFBAR-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H21NO4/c1-15(2,3)20-14(19)16-10-12(13(17)18)9-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,16,19)(H,17,18)/t12-/m1/s1.
What are the key properties of (2R)-2-benzyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid?
(2R)-2-benzyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid has a molecular weight of 279.34 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-benzyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid is sourced from PubChem (CID 7176387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).