(1R,2S)-3-[(2R)-5-hydroxy-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pentanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid

C19H31NO6 — CID 58311308

IUPAC(1R,2S)-3-[(2R)-5-hydroxy-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pentanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid
SMILESCC(C)(C)OC(=O)C[C@@H](CCCO)C(=O)N1CC2[C@@H]([C@H]1C(=O)O)C2(C)C
InChIInChI=1S/C19H31NO6/c1-18(2,3)26-13(22)9-11(7-6-8-21)16(23)20-10-12-14(19(12,4)5)15(20)17(24)25/h11-12,14-15,21H,6-10H2,1-5H3,(H,24,25)/t11-,12?,14+,15+/m1/s1
InChIKeyRJYPPZQUHUNMJN-PYZCBOGGSA-N
MW369.46 g/mol
LogP1.67
Rot. Bonds7

About (1R,2S)-3-[(2R)-5-hydroxy-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pentanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid

(1R,2S)-3-[(2R)-5-hydroxy-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pentanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid (PubChem CID 58311308) has the molecular formula C19H31NO6 and a molecular weight of 369.46 g/mol. Its IUPAC name is (1R,2S)-3-[(2R)-5-hydroxy-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pentanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid.

Molecular Properties

Compound Name(1R,2S)-3-[(2R)-5-hydroxy-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pentanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid
PubChem CID58311308
Molecular FormulaC19H31NO6
Molecular Weight369.46 g/mol
Exact Mass369.22
IUPAC Name(1R,2S)-3-[(2R)-5-hydroxy-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pentanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid
SMILESCC(C)(C)OC(=O)C[C@@H](CCCO)C(=O)N1CC2[C@@H]([C@H]1C(=O)O)C2(C)C
InChIInChI=1S/C19H31NO6/c1-18(2,3)26-13(22)9-11(7-6-8-21)16(23)20-10-12-14(19(12,4)5)15(20)17(24)25/h11-12,14-15,21H,6-10H2,1-5H3,(H,24,25)/t11-,12?,14+,15+/m1/s1
InChIKeyRJYPPZQUHUNMJN-PYZCBOGGSA-N
XLogP1.67
TPSA104.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (1R,2S)-3-[(2R)-5-hydroxy-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pentanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,2S)-3-[(2R)-5-hydroxy-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pentanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid?
The IUPAC name of (1R,2S)-3-[(2R)-5-hydroxy-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pentanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid (CID 58311308) is (1R,2S)-3-[(2R)-5-hydroxy-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pentanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid.
What is the SMILES notation for (1R,2S)-3-[(2R)-5-hydroxy-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pentanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid?
The canonical SMILES for (1R,2S)-3-[(2R)-5-hydroxy-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pentanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid is CC(C)(C)OC(=O)C[C@@H](CCCO)C(=O)N1CC2[C@@H]([C@H]1C(=O)O)C2(C)C.
What is the InChIKey of (1R,2S)-3-[(2R)-5-hydroxy-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pentanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid?
The InChIKey is RJYPPZQUHUNMJN-PYZCBOGGSA-N. The full InChI is InChI=1S/C19H31NO6/c1-18(2,3)26-13(22)9-11(7-6-8-21)16(23)20-10-12-14(19(12,4)5)15(20)17(24)25/h11-12,14-15,21H,6-10H2,1-5H3,(H,24,25)/t11-,12?,14+,15+/m1/s1.
What are the key properties of (1R,2S)-3-[(2R)-5-hydroxy-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pentanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid?
(1R,2S)-3-[(2R)-5-hydroxy-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pentanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid has a molecular weight of 369.46 g/mol, XLogP of 1.67, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-3-[(2R)-5-hydroxy-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pentanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid is sourced from PubChem (CID 58311308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).