(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylpropanoic acid

C14H19NO4 — CID 57183565

IUPAC(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylpropanoic acid
SMILESCC(C)(C)OC(=O)N[C@@](C)(C(=O)O)c1ccccc1
InChIInChI=1S/C14H19NO4/c1-13(2,3)19-12(18)15-14(4,11(16)17)10-8-6-5-7-9-10/h5-9H,1-4H3,(H,15,18)(H,16,17)/t14-/m1/s1
InChIKeyWOGUASPHMADVMU-CQSZACIVSA-N
MW265.31 g/mol
LogP2.51
Rot. Bonds3

About (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylpropanoic acid

(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylpropanoic acid (PubChem CID 57183565) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylpropanoic acid
PubChem CID57183565
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylpropanoic acid
SMILESCC(C)(C)OC(=O)N[C@@](C)(C(=O)O)c1ccccc1
InChIInChI=1S/C14H19NO4/c1-13(2,3)19-12(18)15-14(4,11(16)17)10-8-6-5-7-9-10/h5-9H,1-4H3,(H,15,18)(H,16,17)/t14-/m1/s1
InChIKeyWOGUASPHMADVMU-CQSZACIVSA-N
XLogP2.51
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylpropanoic acid?
The IUPAC name of (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylpropanoic acid (CID 57183565) is (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylpropanoic acid.
What is the SMILES notation for (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylpropanoic acid?
The canonical SMILES for (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylpropanoic acid is CC(C)(C)OC(=O)N[C@@](C)(C(=O)O)c1ccccc1.
What is the InChIKey of (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylpropanoic acid?
The InChIKey is WOGUASPHMADVMU-CQSZACIVSA-N. The full InChI is InChI=1S/C14H19NO4/c1-13(2,3)19-12(18)15-14(4,11(16)17)10-8-6-5-7-9-10/h5-9H,1-4H3,(H,15,18)(H,16,17)/t14-/m1/s1.
What are the key properties of (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylpropanoic acid?
(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylpropanoic acid has a molecular weight of 265.31 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylpropanoic acid is sourced from PubChem (CID 57183565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).