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

C18H25NO6 — CID 166665028

IUPAC(2R)-6-(4-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxohexanoic acid
SMILESCOc1ccc(CCC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)O)cc1
InChIInChI=1S/C18H25NO6/c1-18(2,3)25-17(23)19-15(16(21)22)11-13(20)8-5-12-6-9-14(24-4)10-7-12/h6-7,9-10,15H,5,8,11H2,1-4H3,(H,19,23)(H,21,22)/t15-/m1/s1
InChIKeySPVRSWSXGVCNHR-OAHLLOKOSA-N
MW351.40 g/mol
LogP2.56
Rot. Bonds8

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

(2R)-6-(4-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxohexanoic acid (PubChem CID 166665028) has the molecular formula C18H25NO6 and a molecular weight of 351.40 g/mol. Its IUPAC name is (2R)-6-(4-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxohexanoic acid.

Molecular Properties

Compound Name(2R)-6-(4-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxohexanoic acid
PubChem CID166665028
Molecular FormulaC18H25NO6
Molecular Weight351.40 g/mol
Exact Mass351.17
IUPAC Name(2R)-6-(4-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxohexanoic acid
SMILESCOc1ccc(CCC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)O)cc1
InChIInChI=1S/C18H25NO6/c1-18(2,3)25-17(23)19-15(16(21)22)11-13(20)8-5-12-6-9-14(24-4)10-7-12/h6-7,9-10,15H,5,8,11H2,1-4H3,(H,19,23)(H,21,22)/t15-/m1/s1
InChIKeySPVRSWSXGVCNHR-OAHLLOKOSA-N
XLogP2.56
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-6-(4-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxohexanoic acid with MolForge

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Related Compounds

(2R)-4-(4-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoic acid
CID 71508449
tert-butyl N-[6-(4-methoxyphenyl)-4-oxo-1-phenylhexan-2-yl]carbamate
CID 175048380
2-(4-methoxyphenyl)ethylazanide;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-4-phenylmethoxybutanoic acid
CID 131716192
(2S)-2-[3-(4-methoxyphenyl)propanoylamino]butanedioic acid
CID 112732957
(3S)-4-(4-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 14410547
tert-butyl N-[1-amino-3-(4-methoxyphenyl)-1-oxopropan-2-yl]carbamate
CID 140888192
tert-butyl N-[(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxo-4-phenylbutan-2-yl]carbamate
CID 146265928
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-(4-oxopentyl)phenyl]propanoic acid
CID 68898546
2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-(4-propylphenoxy)phenyl]propanoic acid
CID 143389901
2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[4-(trifluoromethoxy)phenyl]butanoic acid
CID 156757817
5-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentanoic acid
CID 107507015
(2S)-3-[3-(4-methoxyphenyl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 154815453

Frequently Asked Questions

What is the IUPAC name of (2R)-6-(4-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxohexanoic acid?
The IUPAC name of (2R)-6-(4-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxohexanoic acid (CID 166665028) is (2R)-6-(4-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxohexanoic acid.
What is the SMILES notation for (2R)-6-(4-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxohexanoic acid?
The canonical SMILES for (2R)-6-(4-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxohexanoic acid is COc1ccc(CCC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)O)cc1.
What is the InChIKey of (2R)-6-(4-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxohexanoic acid?
The InChIKey is SPVRSWSXGVCNHR-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H25NO6/c1-18(2,3)25-17(23)19-15(16(21)22)11-13(20)8-5-12-6-9-14(24-4)10-7-12/h6-7,9-10,15H,5,8,11H2,1-4H3,(H,19,23)(H,21,22)/t15-/m1/s1.
What are the key properties of (2R)-6-(4-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxohexanoic acid?
(2R)-6-(4-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxohexanoic acid has a molecular weight of 351.40 g/mol, XLogP of 2.56, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6-(4-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxohexanoic acid is sourced from PubChem (CID 166665028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).