tert-butyl (2R,5S)-5-amino-2-(pyrrolidine-1-carbonyl)piperidine-1-carboxylate

C15H27N3O3 — CID 145444299

IUPACtert-butyl (2R,5S)-5-amino-2-(pyrrolidine-1-carbonyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@@H](N)CC[C@@H]1C(=O)N1CCCC1
InChIInChI=1S/C15H27N3O3/c1-15(2,3)21-14(20)18-10-11(16)6-7-12(18)13(19)17-8-4-5-9-17/h11-12H,4-10,16H2,1-3H3/t11-,12+/m0/s1
InChIKeyZGFDNMPWUMUPMJ-NWDGAFQWSA-N
MW297.40 g/mol
LogP1.34
Rot. Bonds1

About tert-butyl (2R,5S)-5-amino-2-(pyrrolidine-1-carbonyl)piperidine-1-carboxylate

tert-butyl (2R,5S)-5-amino-2-(pyrrolidine-1-carbonyl)piperidine-1-carboxylate (PubChem CID 145444299) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is tert-butyl (2R,5S)-5-amino-2-(pyrrolidine-1-carbonyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,5S)-5-amino-2-(pyrrolidine-1-carbonyl)piperidine-1-carboxylate
PubChem CID145444299
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Nametert-butyl (2R,5S)-5-amino-2-(pyrrolidine-1-carbonyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@@H](N)CC[C@@H]1C(=O)N1CCCC1
InChIInChI=1S/C15H27N3O3/c1-15(2,3)21-14(20)18-10-11(16)6-7-12(18)13(19)17-8-4-5-9-17/h11-12H,4-10,16H2,1-3H3/t11-,12+/m0/s1
InChIKeyZGFDNMPWUMUPMJ-NWDGAFQWSA-N
XLogP1.34
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (2S)-2-(azepane-1-carbonyl)pyrrolidine-1-carboxylate
CID 10469863
1-O-tert-butyl 2-O-methyl (2S,5S)-5-aminopiperidine-1,2-dicarboxylate
CID 118989052
tert-butyl (2R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-(pyrrolidine-1-carbonyl)piperidine-1-carboxylate
CID 145444317
tert-butyl 3-aminopiperidine-1-carboxylate;dihydrochloride
CID 155920291
tert-butyl (2S,4S)-4-amino-2-carbamoylpyrrolidine-1-carboxylate
CID 21308807
tert-butyl 3-(4-aminopiperidine-1-carbonyl)piperidine-1-carboxylate
CID 50986434
tert-butyl 4-acetylsulfanyl-2-(piperidine-1-carbonyl)pyrrolidine-1-carboxylate
CID 91546993
1-O-tert-butyl 2-O-methyl (2R,4R)-4-(pyrrolidine-1-carbonyl)pyrrolidine-1,2-dicarboxylate
CID 155757059
ethyl 1-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]piperidine-3-carboxylate
CID 110677869
tert-butyl 3-(piperidine-1-carbonyl)azetidine-1-carboxylate
CID 166469666
methyl 1-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]piperidine-4-carboxylate
CID 94014523
tert-butyl 4-(aminomethyl)-2-(morpholine-4-carbonyl)pyrrolidine-1-carboxylate
CID 67582262

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,5S)-5-amino-2-(pyrrolidine-1-carbonyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl (2R,5S)-5-amino-2-(pyrrolidine-1-carbonyl)piperidine-1-carboxylate (CID 145444299) is tert-butyl (2R,5S)-5-amino-2-(pyrrolidine-1-carbonyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R,5S)-5-amino-2-(pyrrolidine-1-carbonyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R,5S)-5-amino-2-(pyrrolidine-1-carbonyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1C[C@@H](N)CC[C@@H]1C(=O)N1CCCC1.
What is the InChIKey of tert-butyl (2R,5S)-5-amino-2-(pyrrolidine-1-carbonyl)piperidine-1-carboxylate?
The InChIKey is ZGFDNMPWUMUPMJ-NWDGAFQWSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-15(2,3)21-14(20)18-10-11(16)6-7-12(18)13(19)17-8-4-5-9-17/h11-12H,4-10,16H2,1-3H3/t11-,12+/m0/s1.
What are the key properties of tert-butyl (2R,5S)-5-amino-2-(pyrrolidine-1-carbonyl)piperidine-1-carboxylate?
tert-butyl (2R,5S)-5-amino-2-(pyrrolidine-1-carbonyl)piperidine-1-carboxylate has a molecular weight of 297.40 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,5S)-5-amino-2-(pyrrolidine-1-carbonyl)piperidine-1-carboxylate is sourced from PubChem (CID 145444299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).