tert-butyl 2-hexan-2-yl-3-hydroxypyrrolidine-1-carboxylate

C15H29NO3 — CID 167310683

IUPACtert-butyl 2-hexan-2-yl-3-hydroxypyrrolidine-1-carboxylate
SMILESCCCCC(C)C1C(O)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C15H29NO3/c1-6-7-8-11(2)13-12(17)9-10-16(13)14(18)19-15(3,4)5/h11-13,17H,6-10H2,1-5H3
InChIKeyUFRYCSUFLIWSSI-UHFFFAOYSA-N
MW271.40 g/mol
LogP3.18
Rot. Bonds4

About tert-butyl 2-hexan-2-yl-3-hydroxypyrrolidine-1-carboxylate

tert-butyl 2-hexan-2-yl-3-hydroxypyrrolidine-1-carboxylate (PubChem CID 167310683) has the molecular formula C15H29NO3 and a molecular weight of 271.40 g/mol. Its IUPAC name is tert-butyl 2-hexan-2-yl-3-hydroxypyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-hexan-2-yl-3-hydroxypyrrolidine-1-carboxylate
PubChem CID167310683
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC Nametert-butyl 2-hexan-2-yl-3-hydroxypyrrolidine-1-carboxylate
SMILESCCCCC(C)C1C(O)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C15H29NO3/c1-6-7-8-11(2)13-12(17)9-10-16(13)14(18)19-15(3,4)5/h11-13,17H,6-10H2,1-5H3
InChIKeyUFRYCSUFLIWSSI-UHFFFAOYSA-N
XLogP3.18
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (2S,3R)-2-(aminomethyl)-3-hydroxypyrrolidine-1-carboxylate
CID 96611141
tert-butyl 3-butyl-4-hydroxypiperidine-1-carboxylate
CID 114452023
tert-butyl 2-(2-aminoethyl)-3-hydroxypyrrolidine-1-carboxylate
CID 83487199
tert-butyl (2S)-2-tert-butyl-3-hydroxypyrrolidine-1-carboxylate
CID 141408169
tert-butyl 3-(1-aminopropan-2-yl)pyrrolidine-1-carboxylate
CID 82391180
tert-butyl 2-[(1S)-1-aminoethyl]-3-ethylpiperidine-1-carboxylate
CID 172559646
tert-butyl 4-amino-2-butylpiperidine-1-carboxylate
CID 175292956
ditert-butyl (3S)-3-hydroxypyrrolidine-1,2-dicarboxylate
CID 90943157
2-[3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]acetic acid
CID 83488189
tert-butyl 2-(aminomethyl)pyrrolidine-1-carboxylate
CID 2756484
tert-butyl 2-(2-methylpropyl)azetidine-1-carboxylate
CID 143769589
tert-butyl 2-propan-2-ylaziridine-1-carboxylate
CID 73192324

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-hexan-2-yl-3-hydroxypyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-hexan-2-yl-3-hydroxypyrrolidine-1-carboxylate (CID 167310683) is tert-butyl 2-hexan-2-yl-3-hydroxypyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-hexan-2-yl-3-hydroxypyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-hexan-2-yl-3-hydroxypyrrolidine-1-carboxylate is CCCCC(C)C1C(O)CCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-hexan-2-yl-3-hydroxypyrrolidine-1-carboxylate?
The InChIKey is UFRYCSUFLIWSSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3/c1-6-7-8-11(2)13-12(17)9-10-16(13)14(18)19-15(3,4)5/h11-13,17H,6-10H2,1-5H3.
What are the key properties of tert-butyl 2-hexan-2-yl-3-hydroxypyrrolidine-1-carboxylate?
tert-butyl 2-hexan-2-yl-3-hydroxypyrrolidine-1-carboxylate has a molecular weight of 271.40 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-hexan-2-yl-3-hydroxypyrrolidine-1-carboxylate is sourced from PubChem (CID 167310683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).