(2R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylmethoxybutanoic acid

C16H23NO6 — CID 18392841

IUPAC(2R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylmethoxybutanoic acid
SMILESCC(C)(C)OC(=O)N[C@@H](C(=O)O)C(O)COCc1ccccc1
InChIInChI=1S/C16H23NO6/c1-16(2,3)23-15(21)17-13(14(19)20)12(18)10-22-9-11-7-5-4-6-8-11/h4-8,12-13,18H,9-10H2,1-3H3,(H,17,21)(H,19,20)/t12?,13-/m1/s1
InChIKeyKWVMCWQUBBMVAY-ZGTCLIOFSA-N
MW325.36 g/mol
LogP1.54
Rot. Bonds7

About (2R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylmethoxybutanoic acid

(2R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylmethoxybutanoic acid (PubChem CID 18392841) has the molecular formula C16H23NO6 and a molecular weight of 325.36 g/mol. Its IUPAC name is (2R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylmethoxybutanoic acid.

Molecular Properties

Compound Name(2R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylmethoxybutanoic acid
PubChem CID18392841
Molecular FormulaC16H23NO6
Molecular Weight325.36 g/mol
Exact Mass325.15
IUPAC Name(2R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylmethoxybutanoic acid
SMILESCC(C)(C)OC(=O)N[C@@H](C(=O)O)C(O)COCc1ccccc1
InChIInChI=1S/C16H23NO6/c1-16(2,3)23-15(21)17-13(14(19)20)12(18)10-22-9-11-7-5-4-6-8-11/h4-8,12-13,18H,9-10H2,1-3H3,(H,17,21)(H,19,20)/t12?,13-/m1/s1
InChIKeyKWVMCWQUBBMVAY-ZGTCLIOFSA-N
XLogP1.54
TPSA105.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylmethoxybutanoic acid?
The IUPAC name of (2R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylmethoxybutanoic acid (CID 18392841) is (2R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylmethoxybutanoic acid.
What is the SMILES notation for (2R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylmethoxybutanoic acid?
The canonical SMILES for (2R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylmethoxybutanoic acid is CC(C)(C)OC(=O)N[C@@H](C(=O)O)C(O)COCc1ccccc1.
What is the InChIKey of (2R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylmethoxybutanoic acid?
The InChIKey is KWVMCWQUBBMVAY-ZGTCLIOFSA-N. The full InChI is InChI=1S/C16H23NO6/c1-16(2,3)23-15(21)17-13(14(19)20)12(18)10-22-9-11-7-5-4-6-8-11/h4-8,12-13,18H,9-10H2,1-3H3,(H,17,21)(H,19,20)/t12?,13-/m1/s1.
What are the key properties of (2R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylmethoxybutanoic acid?
(2R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylmethoxybutanoic acid has a molecular weight of 325.36 g/mol, XLogP of 1.54, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylmethoxybutanoic acid is sourced from PubChem (CID 18392841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).