methyl (2R,4S)-4-hydroxy-2-propylpyrrolidine-1-carboxylate

C9H17NO3 — CID 162342085

IUPACmethyl (2R,4S)-4-hydroxy-2-propylpyrrolidine-1-carboxylate
SMILESCCC[C@@H]1C[C@H](O)CN1C(=O)OC
InChIInChI=1S/C9H17NO3/c1-3-4-7-5-8(11)6-10(7)9(12)13-2/h7-8,11H,3-6H2,1-2H3/t7-,8+/m1/s1
InChIKeyWBPGCCRXHACKED-SFYZADRCSA-N
MW187.24 g/mol
LogP0.99
Rot. Bonds2

About methyl (2R,4S)-4-hydroxy-2-propylpyrrolidine-1-carboxylate

methyl (2R,4S)-4-hydroxy-2-propylpyrrolidine-1-carboxylate (PubChem CID 162342085) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is methyl (2R,4S)-4-hydroxy-2-propylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Namemethyl (2R,4S)-4-hydroxy-2-propylpyrrolidine-1-carboxylate
PubChem CID162342085
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Namemethyl (2R,4S)-4-hydroxy-2-propylpyrrolidine-1-carboxylate
SMILESCCC[C@@H]1C[C@H](O)CN1C(=O)OC
InChIInChI=1S/C9H17NO3/c1-3-4-7-5-8(11)6-10(7)9(12)13-2/h7-8,11H,3-6H2,1-2H3/t7-,8+/m1/s1
InChIKeyWBPGCCRXHACKED-SFYZADRCSA-N
XLogP0.99
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-hydroxy-2-propylpyrrolidine-1-carboxylate
CID 102568585
tert-butyl (2R,4S)-2-butyl-4-hydroxypyrrolidine-1-carboxylate
CID 99994221
1-(2-methoxyethyl)-5-propylpyrrolidin-3-ol
CID 102568675
1-propan-2-yl-5-propylpyrrolidin-3-ol
CID 102568671
tert-butyl (2R)-4-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 54350495
tert-butyl (2S,4S)-2-(bromomethyl)-4-hydroxypyrrolidine-1-carboxylate
CID 170900143
(2S,4S)-4-hydroxy-2-(methoxymethyl)pyrrolidine-1-carboxylic acid
CID 66670441
tert-butyl (2S,4R)-2-(fluoromethyl)-4-hydroxypyrrolidine-1-carboxylate
CID 97103095
methyl (2R)-2-propyl-3,4-dihydro-2H-pyridine-1-carboxylate
CID 93233748
1-[(2S)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]hexadecan-1-one
CID 170241396
2-[(2R,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]acetic acid
CID 155819570
dimethyl (2S,5S)-5-propylpyrrolidine-1,2-dicarboxylate
CID 14523837

Frequently Asked Questions

What is the IUPAC name of methyl (2R,4S)-4-hydroxy-2-propylpyrrolidine-1-carboxylate?
The IUPAC name of methyl (2R,4S)-4-hydroxy-2-propylpyrrolidine-1-carboxylate (CID 162342085) is methyl (2R,4S)-4-hydroxy-2-propylpyrrolidine-1-carboxylate.
What is the SMILES notation for methyl (2R,4S)-4-hydroxy-2-propylpyrrolidine-1-carboxylate?
The canonical SMILES for methyl (2R,4S)-4-hydroxy-2-propylpyrrolidine-1-carboxylate is CCC[C@@H]1C[C@H](O)CN1C(=O)OC.
What is the InChIKey of methyl (2R,4S)-4-hydroxy-2-propylpyrrolidine-1-carboxylate?
The InChIKey is WBPGCCRXHACKED-SFYZADRCSA-N. The full InChI is InChI=1S/C9H17NO3/c1-3-4-7-5-8(11)6-10(7)9(12)13-2/h7-8,11H,3-6H2,1-2H3/t7-,8+/m1/s1.
What are the key properties of methyl (2R,4S)-4-hydroxy-2-propylpyrrolidine-1-carboxylate?
methyl (2R,4S)-4-hydroxy-2-propylpyrrolidine-1-carboxylate has a molecular weight of 187.24 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,4S)-4-hydroxy-2-propylpyrrolidine-1-carboxylate is sourced from PubChem (CID 162342085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).