[(3R)-3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]phosphonic acid

C9H18NO6P — CID 90817684

IUPAC[(3R)-3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]phosphonic acid
SMILESCC(C)(C)OC(=O)N1CC[C@@](O)(P(=O)(O)O)C1
InChIInChI=1S/C9H18NO6P/c1-8(2,3)16-7(11)10-5-4-9(12,6-10)17(13,14)15/h12H,4-6H2,1-3H3,(H2,13,14,15)/t9-/m1/s1
InChIKeyRMOPONRZOLUGBM-SECBINFHSA-N
MW267.22 g/mol
LogP0.49
Rot. Bonds1

About [(3R)-3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]phosphonic acid

[(3R)-3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]phosphonic acid (PubChem CID 90817684) has the molecular formula C9H18NO6P and a molecular weight of 267.22 g/mol. Its IUPAC name is [(3R)-3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]phosphonic acid.

Molecular Properties

Compound Name[(3R)-3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]phosphonic acid
PubChem CID90817684
Molecular FormulaC9H18NO6P
Molecular Weight267.22 g/mol
Exact Mass267.09
IUPAC Name[(3R)-3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]phosphonic acid
SMILESCC(C)(C)OC(=O)N1CC[C@@](O)(P(=O)(O)O)C1
InChIInChI=1S/C9H18NO6P/c1-8(2,3)16-7(11)10-5-4-9(12,6-10)17(13,14)15/h12H,4-6H2,1-3H3,(H2,13,14,15)/t9-/m1/s1
InChIKeyRMOPONRZOLUGBM-SECBINFHSA-N
XLogP0.49
TPSA107.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.22
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

zinc tert-butyl 3-methanidyl-3-methylpyrrolidine-1-carboxylate
CID 162464292
tert-butyl 3,3-difluoropyrrolidine-1-carboxylate
CID 18542424
tert-butyl 3-hydroxy-3-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 71630502
tert-butyl (3R)-3-fluoro-3-formylpyrrolidine-1-carboxylate
CID 124562501
ditert-butyl 6-hydroxy-6-methyl-1,4-diazepane-1,4-dicarboxylate
CID 89456794
tert-butyl 3-(aminooxymethyl)-3-hydroxypyrrolidine-1-carboxylate
CID 105490874
tert-butyl 3,3-difluoro-4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxylate
CID 129320031
1-O-tert-butyl 3-O-methyl (3R)-3-fluoropyrrolidine-1,3-dicarboxylate
CID 86685754
tert-butyl 3,3-dimethoxypyrrolidine-1-carboxylate;methanol
CID 156848744
tert-butyl 7-methyl-2,7-diazaspiro[4.4]nonane-2-carboxylate
CID 118994126
tert-butyl (3S)-3-chloro-3-methylpiperidine-1-carboxylate
CID 97171665
tert-butyl (3S)-3-amino-3-methylpiperidine-1-carboxylate;ethane
CID 155737634

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]phosphonic acid?
The IUPAC name of [(3R)-3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]phosphonic acid (CID 90817684) is [(3R)-3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]phosphonic acid.
What is the SMILES notation for [(3R)-3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]phosphonic acid?
The canonical SMILES for [(3R)-3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]phosphonic acid is CC(C)(C)OC(=O)N1CC[C@@](O)(P(=O)(O)O)C1.
What is the InChIKey of [(3R)-3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]phosphonic acid?
The InChIKey is RMOPONRZOLUGBM-SECBINFHSA-N. The full InChI is InChI=1S/C9H18NO6P/c1-8(2,3)16-7(11)10-5-4-9(12,6-10)17(13,14)15/h12H,4-6H2,1-3H3,(H2,13,14,15)/t9-/m1/s1.
What are the key properties of [(3R)-3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]phosphonic acid?
[(3R)-3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]phosphonic acid has a molecular weight of 267.22 g/mol, XLogP of 0.49, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]phosphonic acid is sourced from PubChem (CID 90817684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).