methyl (3R)-5-[(1S,5R,7aS)-1-methyl-3-oxo-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-yl]-3-hydroxypentanoate

C13H21NO5 — CID 134853329

IUPACmethyl (3R)-5-[(1S,5R,7aS)-1-methyl-3-oxo-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-yl]-3-hydroxypentanoate
SMILESCOC(=O)C[C@H](O)CC[C@H]1CC[C@H]2[C@H](C)OC(=O)N12
InChIInChI=1S/C13H21NO5/c1-8-11-6-4-9(14(11)13(17)19-8)3-5-10(15)7-12(16)18-2/h8-11,15H,3-7H2,1-2H3/t8-,9-,10+,11-/m0/s1
InChIKeyRVQYJJZSRNYDOZ-MMWGEVLESA-N
MW271.31 g/mol
LogP1.06
Rot. Bonds5

About methyl (3R)-5-[(1S,5R,7aS)-1-methyl-3-oxo-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-yl]-3-hydroxypentanoate

methyl (3R)-5-[(1S,5R,7aS)-1-methyl-3-oxo-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-yl]-3-hydroxypentanoate (PubChem CID 134853329) has the molecular formula C13H21NO5 and a molecular weight of 271.31 g/mol. Its IUPAC name is methyl (3R)-5-[(1S,5R,7aS)-1-methyl-3-oxo-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-yl]-3-hydroxypentanoate.

Molecular Properties

Compound Namemethyl (3R)-5-[(1S,5R,7aS)-1-methyl-3-oxo-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-yl]-3-hydroxypentanoate
PubChem CID134853329
Molecular FormulaC13H21NO5
Molecular Weight271.31 g/mol
Exact Mass271.14
IUPAC Namemethyl (3R)-5-[(1S,5R,7aS)-1-methyl-3-oxo-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-yl]-3-hydroxypentanoate
SMILESCOC(=O)C[C@H](O)CC[C@H]1CC[C@H]2[C@H](C)OC(=O)N12
InChIInChI=1S/C13H21NO5/c1-8-11-6-4-9(14(11)13(17)19-8)3-5-10(15)7-12(16)18-2/h8-11,15H,3-7H2,1-2H3/t8-,9-,10+,11-/m0/s1
InChIKeyRVQYJJZSRNYDOZ-MMWGEVLESA-N
XLogP1.06
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl (3R)-5-[(1S,5R,7aS)-1-methyl-3-oxo-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-yl]-3-hydroxypentanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 5-amino-3-hydroxypentanoate
CID 71369778
(6R,8aS)-1-methyl-3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridine-6-carboxylic acid
CID 86727704
methyl 3-hydroxy-4-(oxan-4-ylamino)butanoate
CID 115123249
methyl (2S)-2-[5-(2-methoxy-2-oxoethyl)-2-oxo-1,3-oxazolidin-3-yl]propanoate
CID 102133270
methyl 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butanoate
CID 104959277
methyl (3S)-3-hydroxy-5-phenylpentanoate
CID 11745842
methyl 3-[(2S,5aS,8aR)-6-(2,2-dimethylpropyl)-1-methyl-5-oxo-3,4,5a,7,8,8a-hexahydro-2H-pyrrolo[3,2-e][1,4]diazepin-2-yl]propanoate
CID 45360810
methyl 3-hydroxy-7-[(1R,2R)-2-(3-hydroxyoctyl)cyclopentyl]-6-methylheptanoate
CID 57321159
methyl 3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butanoate
CID 66391355
methyl (3R)-3-hydroxy-5-methylhexanoate
CID 10920813
methyl 4-amino-3-(cyclopropylamino)butanoate
CID 105435205
methyl 3-(3-methyloxiran-2-yl)butanoate
CID 175497591

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-5-[(1S,5R,7aS)-1-methyl-3-oxo-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-yl]-3-hydroxypentanoate?
The IUPAC name of methyl (3R)-5-[(1S,5R,7aS)-1-methyl-3-oxo-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-yl]-3-hydroxypentanoate (CID 134853329) is methyl (3R)-5-[(1S,5R,7aS)-1-methyl-3-oxo-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-yl]-3-hydroxypentanoate.
What is the SMILES notation for methyl (3R)-5-[(1S,5R,7aS)-1-methyl-3-oxo-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-yl]-3-hydroxypentanoate?
The canonical SMILES for methyl (3R)-5-[(1S,5R,7aS)-1-methyl-3-oxo-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-yl]-3-hydroxypentanoate is COC(=O)C[C@H](O)CC[C@H]1CC[C@H]2[C@H](C)OC(=O)N12.
What is the InChIKey of methyl (3R)-5-[(1S,5R,7aS)-1-methyl-3-oxo-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-yl]-3-hydroxypentanoate?
The InChIKey is RVQYJJZSRNYDOZ-MMWGEVLESA-N. The full InChI is InChI=1S/C13H21NO5/c1-8-11-6-4-9(14(11)13(17)19-8)3-5-10(15)7-12(16)18-2/h8-11,15H,3-7H2,1-2H3/t8-,9-,10+,11-/m0/s1.
What are the key properties of methyl (3R)-5-[(1S,5R,7aS)-1-methyl-3-oxo-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-yl]-3-hydroxypentanoate?
methyl (3R)-5-[(1S,5R,7aS)-1-methyl-3-oxo-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-yl]-3-hydroxypentanoate has a molecular weight of 271.31 g/mol, XLogP of 1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-5-[(1S,5R,7aS)-1-methyl-3-oxo-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-yl]-3-hydroxypentanoate is sourced from PubChem (CID 134853329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).