tert-butyl (2S)-1-(3-cyclopentyl-2-hydroxypropyl)pyrrolidine-2-carboxylate

C17H31NO3 — CID 103160981

IUPACtert-butyl (2S)-1-(3-cyclopentyl-2-hydroxypropyl)pyrrolidine-2-carboxylate
SMILESCC(C)(C)OC(=O)[C@@H]1CCCN1CC(O)CC1CCCC1
InChIInChI=1S/C17H31NO3/c1-17(2,3)21-16(20)15-9-6-10-18(15)12-14(19)11-13-7-4-5-8-13/h13-15,19H,4-12H2,1-3H3/t14?,15-/m0/s1
InChIKeyUWXZLZUXITZLSF-LOACHALJSA-N
MW297.44 g/mol
LogP2.73
Rot. Bonds5

About tert-butyl (2S)-1-(3-cyclopentyl-2-hydroxypropyl)pyrrolidine-2-carboxylate

tert-butyl (2S)-1-(3-cyclopentyl-2-hydroxypropyl)pyrrolidine-2-carboxylate (PubChem CID 103160981) has the molecular formula C17H31NO3 and a molecular weight of 297.44 g/mol. Its IUPAC name is tert-butyl (2S)-1-(3-cyclopentyl-2-hydroxypropyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-1-(3-cyclopentyl-2-hydroxypropyl)pyrrolidine-2-carboxylate
PubChem CID103160981
Molecular FormulaC17H31NO3
Molecular Weight297.44 g/mol
Exact Mass297.23
IUPAC Nametert-butyl (2S)-1-(3-cyclopentyl-2-hydroxypropyl)pyrrolidine-2-carboxylate
SMILESCC(C)(C)OC(=O)[C@@H]1CCCN1CC(O)CC1CCCC1
InChIInChI=1S/C17H31NO3/c1-17(2,3)21-16(20)15-9-6-10-18(15)12-14(19)11-13-7-4-5-8-13/h13-15,19H,4-12H2,1-3H3/t14?,15-/m0/s1
InChIKeyUWXZLZUXITZLSF-LOACHALJSA-N
XLogP2.73
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-1-(3-cyclopentyl-2-hydroxypropyl)pyrrolidine-2-carboxylate?
The IUPAC name of tert-butyl (2S)-1-(3-cyclopentyl-2-hydroxypropyl)pyrrolidine-2-carboxylate (CID 103160981) is tert-butyl (2S)-1-(3-cyclopentyl-2-hydroxypropyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for tert-butyl (2S)-1-(3-cyclopentyl-2-hydroxypropyl)pyrrolidine-2-carboxylate?
The canonical SMILES for tert-butyl (2S)-1-(3-cyclopentyl-2-hydroxypropyl)pyrrolidine-2-carboxylate is CC(C)(C)OC(=O)[C@@H]1CCCN1CC(O)CC1CCCC1.
What is the InChIKey of tert-butyl (2S)-1-(3-cyclopentyl-2-hydroxypropyl)pyrrolidine-2-carboxylate?
The InChIKey is UWXZLZUXITZLSF-LOACHALJSA-N. The full InChI is InChI=1S/C17H31NO3/c1-17(2,3)21-16(20)15-9-6-10-18(15)12-14(19)11-13-7-4-5-8-13/h13-15,19H,4-12H2,1-3H3/t14?,15-/m0/s1.
What are the key properties of tert-butyl (2S)-1-(3-cyclopentyl-2-hydroxypropyl)pyrrolidine-2-carboxylate?
tert-butyl (2S)-1-(3-cyclopentyl-2-hydroxypropyl)pyrrolidine-2-carboxylate has a molecular weight of 297.44 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-1-(3-cyclopentyl-2-hydroxypropyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 103160981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).