(2R)-6-(4-chlorophenyl)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxohexanoic acid

C18H24ClNO5 — CID 67463525

IUPAC(2R)-6-(4-chlorophenyl)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxohexanoic acid
SMILESCC(C)(C)OC(=O)N[C@](C)(CCCC(=O)c1ccc(Cl)cc1)C(=O)O
InChIInChI=1S/C18H24ClNO5/c1-17(2,3)25-16(24)20-18(4,15(22)23)11-5-6-14(21)12-7-9-13(19)10-8-12/h7-10H,5-6,11H2,1-4H3,(H,20,24)(H,22,23)/t18-/m1/s1
InChIKeyPPCNCEISXKVFAS-GOSISDBHSA-N
MW369.85 g/mol
LogP4.06
Rot. Bonds7

About (2R)-6-(4-chlorophenyl)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxohexanoic acid

(2R)-6-(4-chlorophenyl)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxohexanoic acid (PubChem CID 67463525) has the molecular formula C18H24ClNO5 and a molecular weight of 369.85 g/mol. Its IUPAC name is (2R)-6-(4-chlorophenyl)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxohexanoic acid.

Molecular Properties

Compound Name(2R)-6-(4-chlorophenyl)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxohexanoic acid
PubChem CID67463525
Molecular FormulaC18H24ClNO5
Molecular Weight369.85 g/mol
Exact Mass369.13
IUPAC Name(2R)-6-(4-chlorophenyl)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxohexanoic acid
SMILESCC(C)(C)OC(=O)N[C@](C)(CCCC(=O)c1ccc(Cl)cc1)C(=O)O
InChIInChI=1S/C18H24ClNO5/c1-17(2,3)25-16(24)20-18(4,15(22)23)11-5-6-14(21)12-7-9-13(19)10-8-12/h7-10H,5-6,11H2,1-4H3,(H,20,24)(H,22,23)/t18-/m1/s1
InChIKeyPPCNCEISXKVFAS-GOSISDBHSA-N
XLogP4.06
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-6-(4-chlorophenyl)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxohexanoic acid?
The IUPAC name of (2R)-6-(4-chlorophenyl)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxohexanoic acid (CID 67463525) is (2R)-6-(4-chlorophenyl)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxohexanoic acid.
What is the SMILES notation for (2R)-6-(4-chlorophenyl)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxohexanoic acid?
The canonical SMILES for (2R)-6-(4-chlorophenyl)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxohexanoic acid is CC(C)(C)OC(=O)N[C@](C)(CCCC(=O)c1ccc(Cl)cc1)C(=O)O.
What is the InChIKey of (2R)-6-(4-chlorophenyl)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxohexanoic acid?
The InChIKey is PPCNCEISXKVFAS-GOSISDBHSA-N. The full InChI is InChI=1S/C18H24ClNO5/c1-17(2,3)25-16(24)20-18(4,15(22)23)11-5-6-14(21)12-7-9-13(19)10-8-12/h7-10H,5-6,11H2,1-4H3,(H,20,24)(H,22,23)/t18-/m1/s1.
What are the key properties of (2R)-6-(4-chlorophenyl)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxohexanoic acid?
(2R)-6-(4-chlorophenyl)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxohexanoic acid has a molecular weight of 369.85 g/mol, XLogP of 4.06, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6-(4-chlorophenyl)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxohexanoic acid is sourced from PubChem (CID 67463525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).