tert-butyl 3-(1,2-diazaspiro[2.5]oct-1-en-5-ylamino)pyrrolidine-1-carboxylate

C15H26N4O2 — CID 167930887

IUPACtert-butyl 3-(1,2-diazaspiro[2.5]oct-1-en-5-ylamino)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NC2CCCC3(C2)N=N3)C1
InChIInChI=1S/C15H26N4O2/c1-14(2,3)21-13(20)19-8-6-12(10-19)16-11-5-4-7-15(9-11)17-18-15/h11-12,16H,4-10H2,1-3H3
InChIKeyXRMHWKHCMQYIHN-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.69
Rot. Bonds2

About tert-butyl 3-(1,2-diazaspiro[2.5]oct-1-en-5-ylamino)pyrrolidine-1-carboxylate

tert-butyl 3-(1,2-diazaspiro[2.5]oct-1-en-5-ylamino)pyrrolidine-1-carboxylate (PubChem CID 167930887) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is tert-butyl 3-(1,2-diazaspiro[2.5]oct-1-en-5-ylamino)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(1,2-diazaspiro[2.5]oct-1-en-5-ylamino)pyrrolidine-1-carboxylate
PubChem CID167930887
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Nametert-butyl 3-(1,2-diazaspiro[2.5]oct-1-en-5-ylamino)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NC2CCCC3(C2)N=N3)C1
InChIInChI=1S/C15H26N4O2/c1-14(2,3)21-13(20)19-8-6-12(10-19)16-11-5-4-7-15(9-11)17-18-15/h11-12,16H,4-10H2,1-3H3
InChIKeyXRMHWKHCMQYIHN-UHFFFAOYSA-N
XLogP2.69
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 3-[(3-methylcyclobutyl)amino]pyrrolidine-1-carboxylate
CID 115735709
tert-butyl 3-[(3-propan-2-ylcyclohexyl)amino]pyrrolidine-1-carboxylate
CID 107448863
tert-butyl (3S)-3-(thian-4-ylamino)pyrrolidine-1-carboxylate
CID 86609366
tert-butyl 3-[(2-methylcyclopropyl)amino]piperidine-1-carboxylate
CID 62397126
tert-butyl 3-(piperidin-3-ylamino)piperidine-1-carboxylate
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tert-butyl 3-[(1-ethylpiperidin-4-yl)amino]pyrrolidine-1-carboxylate
CID 81338126
tert-butyl 3-(cyclobutylamino)azetidine-1-carboxylate
CID 53484509
3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]cyclohexane-1-carboxylic acid
CID 107241554
tert-butyl 4-[(4-hydroxycyclohexyl)amino]azepane-1-carboxylate
CID 103980484
tert-butyl 4-[(4-aminocyclohexyl)amino]azepane-1-carboxylate
CID 103982002
tert-butyl 3-[(2-ethyl-2-methyloxan-4-yl)amino]pyrrolidine-1-carboxylate
CID 107239343
tert-butyl 3-[(3-methylcyclobutyl)amino]azepane-1-carboxylate
CID 104859796

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(1,2-diazaspiro[2.5]oct-1-en-5-ylamino)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(1,2-diazaspiro[2.5]oct-1-en-5-ylamino)pyrrolidine-1-carboxylate (CID 167930887) is tert-butyl 3-(1,2-diazaspiro[2.5]oct-1-en-5-ylamino)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(1,2-diazaspiro[2.5]oct-1-en-5-ylamino)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(1,2-diazaspiro[2.5]oct-1-en-5-ylamino)pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(NC2CCCC3(C2)N=N3)C1.
What is the InChIKey of tert-butyl 3-(1,2-diazaspiro[2.5]oct-1-en-5-ylamino)pyrrolidine-1-carboxylate?
The InChIKey is XRMHWKHCMQYIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-14(2,3)21-13(20)19-8-6-12(10-19)16-11-5-4-7-15(9-11)17-18-15/h11-12,16H,4-10H2,1-3H3.
What are the key properties of tert-butyl 3-(1,2-diazaspiro[2.5]oct-1-en-5-ylamino)pyrrolidine-1-carboxylate?
tert-butyl 3-(1,2-diazaspiro[2.5]oct-1-en-5-ylamino)pyrrolidine-1-carboxylate has a molecular weight of 294.40 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(1,2-diazaspiro[2.5]oct-1-en-5-ylamino)pyrrolidine-1-carboxylate is sourced from PubChem (CID 167930887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).