bis(tert-butyl formate);pyrrolidine-3-carboxamide

C15H30N2O5 — CID 175304917

IUPACbis(tert-butyl formate);pyrrolidine-3-carboxamide
SMILESCC(C)(C)OC=O.CC(C)(C)OC=O.NC(=O)C1CCNC1
InChIInChI=1S/C5H10N2O.2C5H10O2/c6-5(8)4-1-2-7-3-4;2*1-5(2,3)7-4-6/h4,7H,1-3H2,(H2,6,8);2*4H,1-3H3
InChIKeyYXCKMUMGVYVQHQ-UHFFFAOYSA-N
MW318.41 g/mol
LogP1.00
Rot. Bonds3

About bis(tert-butyl formate);pyrrolidine-3-carboxamide

bis(tert-butyl formate);pyrrolidine-3-carboxamide (PubChem CID 175304917) has the molecular formula C15H30N2O5 and a molecular weight of 318.41 g/mol. Its IUPAC name is bis(tert-butyl formate);pyrrolidine-3-carboxamide.

Molecular Properties

Compound Namebis(tert-butyl formate);pyrrolidine-3-carboxamide
PubChem CID175304917
Molecular FormulaC15H30N2O5
Molecular Weight318.41 g/mol
Exact Mass318.22
IUPAC Namebis(tert-butyl formate);pyrrolidine-3-carboxamide
SMILESCC(C)(C)OC=O.CC(C)(C)OC=O.NC(=O)C1CCNC1
InChIInChI=1S/C5H10N2O.2C5H10O2/c6-5(8)4-1-2-7-3-4;2*1-5(2,3)7-4-6/h4,7H,1-3H2,(H2,6,8);2*4H,1-3H3
InChIKeyYXCKMUMGVYVQHQ-UHFFFAOYSA-N
XLogP1.00
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.41
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

tert-butyl formate;pyrrolidine-3-carbohydrazide
CID 174810054
acetic acid;tert-butyl formate;3-ethylpiperidin-4-amine
CID 159777318
tert-butyl formate;carbamic acid;piperazine
CID 174978332
tert-butyl formate;1-pyrrolidin-3-ylethanol
CID 175295526
tert-butyl formate;(3R)-piperidin-3-ol
CID 158926595
tert-butyl pyrrolidine-3-carboxylate;hydrochloride
CID 86346376
tert-butyl formate;piperazine
CID 159581918
tert-butyl formate;(4-chlorophenyl)-piperidin-4-ylmethanone
CID 175329360
tert-butyl formate;(2S)-2-methylpiperazine
CID 158074462
tert-butyl formate;piperidin-4-ylmethanamine;hydrochloride
CID 174583212
tert-butyl formate;1-piperidin-4-ylethanamine
CID 174560840
tert-butyl formate;piperidin-3-yl(pyridin-2-yl)methanone
CID 174588553

Frequently Asked Questions

What is the IUPAC name of bis(tert-butyl formate);pyrrolidine-3-carboxamide?
The IUPAC name of bis(tert-butyl formate);pyrrolidine-3-carboxamide (CID 175304917) is bis(tert-butyl formate);pyrrolidine-3-carboxamide.
What is the SMILES notation for bis(tert-butyl formate);pyrrolidine-3-carboxamide?
The canonical SMILES for bis(tert-butyl formate);pyrrolidine-3-carboxamide is CC(C)(C)OC=O.CC(C)(C)OC=O.NC(=O)C1CCNC1.
What is the InChIKey of bis(tert-butyl formate);pyrrolidine-3-carboxamide?
The InChIKey is YXCKMUMGVYVQHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O.2C5H10O2/c6-5(8)4-1-2-7-3-4;2*1-5(2,3)7-4-6/h4,7H,1-3H2,(H2,6,8);2*4H,1-3H3.
What are the key properties of bis(tert-butyl formate);pyrrolidine-3-carboxamide?
bis(tert-butyl formate);pyrrolidine-3-carboxamide has a molecular weight of 318.41 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(tert-butyl formate);pyrrolidine-3-carboxamide is sourced from PubChem (CID 175304917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).