tert-butyl 4-[2-aminopropanoyl(ethyl)amino]piperidine-1-carboxylate

C15H29N3O3 — CID 77143621

IUPACtert-butyl 4-[2-aminopropanoyl(ethyl)amino]piperidine-1-carboxylate
SMILESCCN(C(=O)C(C)N)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H29N3O3/c1-6-18(13(19)11(2)16)12-7-9-17(10-8-12)14(20)21-15(3,4)5/h11-12H,6-10,16H2,1-5H3
InChIKeyWBXNWXQLDNWTAD-UHFFFAOYSA-N
MW299.42 g/mol
LogP1.58
Rot. Bonds3

About tert-butyl 4-[2-aminopropanoyl(ethyl)amino]piperidine-1-carboxylate

tert-butyl 4-[2-aminopropanoyl(ethyl)amino]piperidine-1-carboxylate (PubChem CID 77143621) has the molecular formula C15H29N3O3 and a molecular weight of 299.42 g/mol. Its IUPAC name is tert-butyl 4-[2-aminopropanoyl(ethyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-aminopropanoyl(ethyl)amino]piperidine-1-carboxylate
PubChem CID77143621
Molecular FormulaC15H29N3O3
Molecular Weight299.42 g/mol
Exact Mass299.22
IUPAC Nametert-butyl 4-[2-aminopropanoyl(ethyl)amino]piperidine-1-carboxylate
SMILESCCN(C(=O)C(C)N)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H29N3O3/c1-6-18(13(19)11(2)16)12-7-9-17(10-8-12)14(20)21-15(3,4)5/h11-12H,6-10,16H2,1-5H3
InChIKeyWBXNWXQLDNWTAD-UHFFFAOYSA-N
XLogP1.58
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-[[(2S)-2-aminopropanoyl]-methylamino]pyrrolidine-1-carboxylate
CID 66564091
2-amino-N-cyclopropyl-N-ethylpropanamide
CID 43264257
tert-butyl (3R)-3-[[[(2S)-2-aminopropanoyl]-cyclopropylamino]methyl]piperidine-1-carboxylate
CID 96552198
tert-butyl 4-propan-2-ylpiperidine-1-carboxylate
CID 22899309
tert-butyl (3S)-3-[[[(2S)-2-aminopropanoyl]-methylamino]methyl]pyrrolidine-1-carboxylate
CID 96552158
tert-butyl 4-[(2S)-2-aminopropyl]piperidine-1-carboxylate
CID 129406782
tert-butyl 4-[(1R,2S)-2-amino-1-hydroxybutyl]piperidine-1-carboxylate
CID 86336778
tert-butyl 4-[(2R)-2-aminopropyl]piperidine-1-carboxylate
CID 129406783
tert-butyl 4-[[(2S)-2-amino-4-methylpentanoyl]-(2,2-diethoxyethyl)amino]piperidine-1-carboxylate
CID 163240633
tert-butyl (3R)-3-[[(2S)-2-aminopropanoyl]-methylamino]piperidine-1-carboxylate
CID 66564098
tert-butyl (3S)-3-[[[(2S)-2-aminopropanoyl]-propan-2-ylamino]methyl]pyrrolidine-1-carboxylate
CID 96552182
tert-butyl 4-(2-aminopropyl)piperidine-1-carboxylate;hydrochloride
CID 174994313

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-aminopropanoyl(ethyl)amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-aminopropanoyl(ethyl)amino]piperidine-1-carboxylate (CID 77143621) is tert-butyl 4-[2-aminopropanoyl(ethyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-aminopropanoyl(ethyl)amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-aminopropanoyl(ethyl)amino]piperidine-1-carboxylate is CCN(C(=O)C(C)N)C1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[2-aminopropanoyl(ethyl)amino]piperidine-1-carboxylate?
The InChIKey is WBXNWXQLDNWTAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O3/c1-6-18(13(19)11(2)16)12-7-9-17(10-8-12)14(20)21-15(3,4)5/h11-12H,6-10,16H2,1-5H3.
What are the key properties of tert-butyl 4-[2-aminopropanoyl(ethyl)amino]piperidine-1-carboxylate?
tert-butyl 4-[2-aminopropanoyl(ethyl)amino]piperidine-1-carboxylate has a molecular weight of 299.42 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-aminopropanoyl(ethyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 77143621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).