tert-butyl 4-[3-[(1S)-1-amino-2-hydroxyethyl]azetidin-1-yl]piperidine-1-carboxylate

C15H29N3O3 — CID 97103021

IUPACtert-butyl 4-[3-[(1S)-1-amino-2-hydroxyethyl]azetidin-1-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(N2CC([C@H](N)CO)C2)CC1
InChIInChI=1S/C15H29N3O3/c1-15(2,3)21-14(20)17-6-4-12(5-7-17)18-8-11(9-18)13(16)10-19/h11-13,19H,4-10,16H2,1-3H3/t13-/m1/s1
InChIKeyGGTBLAXNVIUSMZ-CYBMUJFWSA-N
MW299.41 g/mol
LogP0.64
Rot. Bonds3

About tert-butyl 4-[3-[(1S)-1-amino-2-hydroxyethyl]azetidin-1-yl]piperidine-1-carboxylate

tert-butyl 4-[3-[(1S)-1-amino-2-hydroxyethyl]azetidin-1-yl]piperidine-1-carboxylate (PubChem CID 97103021) has the molecular formula C15H29N3O3 and a molecular weight of 299.41 g/mol. Its IUPAC name is tert-butyl 4-[3-[(1S)-1-amino-2-hydroxyethyl]azetidin-1-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[3-[(1S)-1-amino-2-hydroxyethyl]azetidin-1-yl]piperidine-1-carboxylate
PubChem CID97103021
Molecular FormulaC15H29N3O3
Molecular Weight299.41 g/mol
Exact Mass299.22
IUPAC Nametert-butyl 4-[3-[(1S)-1-amino-2-hydroxyethyl]azetidin-1-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(N2CC([C@H](N)CO)C2)CC1
InChIInChI=1S/C15H29N3O3/c1-15(2,3)21-14(20)17-6-4-12(5-7-17)18-8-11(9-18)13(16)10-19/h11-13,19H,4-10,16H2,1-3H3/t13-/m1/s1
InChIKeyGGTBLAXNVIUSMZ-CYBMUJFWSA-N
XLogP0.64
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 3-(1-amino-2-hydroxyethyl)azetidine-1-carboxylate
CID 83910033
tert-butyl 4-[3-(aminomethyl)azetidin-1-yl]piperidine-1-carboxylate
CID 45072279
tert-butyl 4-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]piperidine-1-carboxylate
CID 146498263
tert-butyl 4-(2-amino-3-hydroxypropyl)piperidine-1-carboxylate;tert-butyl 3-(hydroxymethyl)azetidine-1-carboxylate
CID 166756850
tert-butyl 4-(1,3-dihydroxypropyl)piperidine-1-carboxylate
CID 22293485
tert-butyl 4-(2-amino-2-cyclopropylethyl)piperidine-1-carboxylate
CID 115050049
tert-butyl 4-[(3R)-3-aminopyrrolidin-1-yl]piperidine-1-carboxylate
CID 34178457
tert-butyl 4-[(2R)-2-aminopropyl]piperidine-1-carboxylate
CID 129406783
tert-butyl 4-[(1R,2S)-2-amino-1-hydroxybutyl]piperidine-1-carboxylate
CID 86336778
tert-butyl 3-(3-aminoazetidin-1-yl)pyrrolidine-1-carboxylate
CID 45072283
tert-butyl 4-[(2S)-2-aminopropyl]piperidine-1-carboxylate
CID 129406782
tert-butyl 4-(1-amino-3-oxopropyl)piperidine-1-carboxylate
CID 88877258

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[3-[(1S)-1-amino-2-hydroxyethyl]azetidin-1-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[3-[(1S)-1-amino-2-hydroxyethyl]azetidin-1-yl]piperidine-1-carboxylate (CID 97103021) is tert-butyl 4-[3-[(1S)-1-amino-2-hydroxyethyl]azetidin-1-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[3-[(1S)-1-amino-2-hydroxyethyl]azetidin-1-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[3-[(1S)-1-amino-2-hydroxyethyl]azetidin-1-yl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(N2CC([C@H](N)CO)C2)CC1.
What is the InChIKey of tert-butyl 4-[3-[(1S)-1-amino-2-hydroxyethyl]azetidin-1-yl]piperidine-1-carboxylate?
The InChIKey is GGTBLAXNVIUSMZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H29N3O3/c1-15(2,3)21-14(20)17-6-4-12(5-7-17)18-8-11(9-18)13(16)10-19/h11-13,19H,4-10,16H2,1-3H3/t13-/m1/s1.
What are the key properties of tert-butyl 4-[3-[(1S)-1-amino-2-hydroxyethyl]azetidin-1-yl]piperidine-1-carboxylate?
tert-butyl 4-[3-[(1S)-1-amino-2-hydroxyethyl]azetidin-1-yl]piperidine-1-carboxylate has a molecular weight of 299.41 g/mol, XLogP of 0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[3-[(1S)-1-amino-2-hydroxyethyl]azetidin-1-yl]piperidine-1-carboxylate is sourced from PubChem (CID 97103021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).