[(1S)-1-hydroxypropyl] pyrrolidine-1-carboxylate

C8H15NO3 — CID 175255491

IUPAC[(1S)-1-hydroxypropyl] pyrrolidine-1-carboxylate
SMILESCC[C@@H](O)OC(=O)N1CCCC1
InChIInChI=1S/C8H15NO3/c1-2-7(10)12-8(11)9-5-3-4-6-9/h7,10H,2-6H2,1H3/t7-/m0/s1
InChIKeyUMDLYODXKDOZFG-ZETCQYMHSA-N
MW173.21 g/mol
LogP0.95
Rot. Bonds2

About [(1S)-1-hydroxypropyl] pyrrolidine-1-carboxylate

[(1S)-1-hydroxypropyl] pyrrolidine-1-carboxylate (PubChem CID 175255491) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is [(1S)-1-hydroxypropyl] pyrrolidine-1-carboxylate.

Molecular Properties

Compound Name[(1S)-1-hydroxypropyl] pyrrolidine-1-carboxylate
PubChem CID175255491
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name[(1S)-1-hydroxypropyl] pyrrolidine-1-carboxylate
SMILESCC[C@@H](O)OC(=O)N1CCCC1
InChIInChI=1S/C8H15NO3/c1-2-7(10)12-8(11)9-5-3-4-6-9/h7,10H,2-6H2,1H3/t7-/m0/s1
InChIKeyUMDLYODXKDOZFG-ZETCQYMHSA-N
XLogP0.95
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-(pyrrolidine-1-carbonyloxy)butan-2-yl pyrrolidine-1-carboxylate
CID 118272075
[(2R)-3,3-dimethylbutan-2-yl] piperidine-1-carboxylate
CID 134419210
ethyl azacycloundecane-1-carboxylate
CID 67670496
ethyl pyrrolidine-1-carboxylate;methanol
CID 153400940
3-methylbutan-2-yl piperidine-1-carboxylate
CID 127537756
[2-ethoxy-2-oxo-1-(piperidine-1-carbonyloxy)ethyl] piperidine-1-carboxylate
CID 121305988
1-fluorobutyl piperidine-1-carboxylate
CID 68735520
[cyano(hydroxy)methyl] pyrrolidine-1-carboxylate
CID 177108036
pentan-3-yl 2,5-dimethylpyrrolidine-1-carboxylate;pentan-3-yl pyrrolidine-1-carboxylate
CID 175585387
ethyl azetidine-1-carboxylate
CID 14088501
propanoyl piperidine-1-carboxylate
CID 142786690
(1-iodo-2,2-dimethylpropyl) pyrrolidine-1-carboxylate
CID 169006679

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-hydroxypropyl] pyrrolidine-1-carboxylate?
The IUPAC name of [(1S)-1-hydroxypropyl] pyrrolidine-1-carboxylate (CID 175255491) is [(1S)-1-hydroxypropyl] pyrrolidine-1-carboxylate.
What is the SMILES notation for [(1S)-1-hydroxypropyl] pyrrolidine-1-carboxylate?
The canonical SMILES for [(1S)-1-hydroxypropyl] pyrrolidine-1-carboxylate is CC[C@@H](O)OC(=O)N1CCCC1.
What is the InChIKey of [(1S)-1-hydroxypropyl] pyrrolidine-1-carboxylate?
The InChIKey is UMDLYODXKDOZFG-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H15NO3/c1-2-7(10)12-8(11)9-5-3-4-6-9/h7,10H,2-6H2,1H3/t7-/m0/s1.
What are the key properties of [(1S)-1-hydroxypropyl] pyrrolidine-1-carboxylate?
[(1S)-1-hydroxypropyl] pyrrolidine-1-carboxylate has a molecular weight of 173.21 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-hydroxypropyl] pyrrolidine-1-carboxylate is sourced from PubChem (CID 175255491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).