tert-butyl (2R,3S)-2-(cyclohexylmethyl)-3-hydroxy-5-oxopyrrolidine-1-carboxylate

C16H27NO4 — CID 18655660

IUPACtert-butyl (2R,3S)-2-(cyclohexylmethyl)-3-hydroxy-5-oxopyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C(=O)C[C@H](O)[C@H]1CC1CCCCC1
InChIInChI=1S/C16H27NO4/c1-16(2,3)21-15(20)17-12(13(18)10-14(17)19)9-11-7-5-4-6-8-11/h11-13,18H,4-10H2,1-3H3/t12-,13+/m1/s1
InChIKeyAIABJXASZBKTRP-OLZOCXBDSA-N
MW297.39 g/mol
LogP2.85
Rot. Bonds2

About tert-butyl (2R,3S)-2-(cyclohexylmethyl)-3-hydroxy-5-oxopyrrolidine-1-carboxylate

tert-butyl (2R,3S)-2-(cyclohexylmethyl)-3-hydroxy-5-oxopyrrolidine-1-carboxylate (PubChem CID 18655660) has the molecular formula C16H27NO4 and a molecular weight of 297.39 g/mol. Its IUPAC name is tert-butyl (2R,3S)-2-(cyclohexylmethyl)-3-hydroxy-5-oxopyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,3S)-2-(cyclohexylmethyl)-3-hydroxy-5-oxopyrrolidine-1-carboxylate
PubChem CID18655660
Molecular FormulaC16H27NO4
Molecular Weight297.39 g/mol
Exact Mass297.19
IUPAC Nametert-butyl (2R,3S)-2-(cyclohexylmethyl)-3-hydroxy-5-oxopyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C(=O)C[C@H](O)[C@H]1CC1CCCCC1
InChIInChI=1S/C16H27NO4/c1-16(2,3)21-15(20)17-12(13(18)10-14(17)19)9-11-7-5-4-6-8-11/h11-13,18H,4-10H2,1-3H3/t12-,13+/m1/s1
InChIKeyAIABJXASZBKTRP-OLZOCXBDSA-N
XLogP2.85
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.39
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,3S)-2-(cyclohexylmethyl)-3-hydroxy-5-oxopyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2R,3S)-2-(cyclohexylmethyl)-3-hydroxy-5-oxopyrrolidine-1-carboxylate (CID 18655660) is tert-butyl (2R,3S)-2-(cyclohexylmethyl)-3-hydroxy-5-oxopyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R,3S)-2-(cyclohexylmethyl)-3-hydroxy-5-oxopyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R,3S)-2-(cyclohexylmethyl)-3-hydroxy-5-oxopyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1C(=O)C[C@H](O)[C@H]1CC1CCCCC1.
What is the InChIKey of tert-butyl (2R,3S)-2-(cyclohexylmethyl)-3-hydroxy-5-oxopyrrolidine-1-carboxylate?
The InChIKey is AIABJXASZBKTRP-OLZOCXBDSA-N. The full InChI is InChI=1S/C16H27NO4/c1-16(2,3)21-15(20)17-12(13(18)10-14(17)19)9-11-7-5-4-6-8-11/h11-13,18H,4-10H2,1-3H3/t12-,13+/m1/s1.
What are the key properties of tert-butyl (2R,3S)-2-(cyclohexylmethyl)-3-hydroxy-5-oxopyrrolidine-1-carboxylate?
tert-butyl (2R,3S)-2-(cyclohexylmethyl)-3-hydroxy-5-oxopyrrolidine-1-carboxylate has a molecular weight of 297.39 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,3S)-2-(cyclohexylmethyl)-3-hydroxy-5-oxopyrrolidine-1-carboxylate is sourced from PubChem (CID 18655660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).