tert-butyl N-[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-3-yl]carbamate

C15H29N3O3 — CID 66566325

IUPACtert-butyl N-[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-3-yl]carbamate
SMILESCC(C)[C@H](N)C(=O)N1CCCC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H29N3O3/c1-10(2)12(16)13(19)18-8-6-7-11(9-18)17-14(20)21-15(3,4)5/h10-12H,6-9,16H2,1-5H3,(H,17,20)/t11?,12-/m0/s1
InChIKeyIXXNWUBFEFXWLT-KIYNQFGBSA-N
MW299.42 g/mol
LogP1.49
Rot. Bonds3

About tert-butyl N-[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-3-yl]carbamate

tert-butyl N-[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-3-yl]carbamate (PubChem CID 66566325) has the molecular formula C15H29N3O3 and a molecular weight of 299.42 g/mol. Its IUPAC name is tert-butyl N-[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-3-yl]carbamate
PubChem CID66566325
Molecular FormulaC15H29N3O3
Molecular Weight299.42 g/mol
Exact Mass299.22
IUPAC Nametert-butyl N-[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-3-yl]carbamate
SMILESCC(C)[C@H](N)C(=O)N1CCCC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H29N3O3/c1-10(2)12(16)13(19)18-8-6-7-11(9-18)17-14(20)21-15(3,4)5/h10-12H,6-9,16H2,1-5H3,(H,17,20)/t11?,12-/m0/s1
InChIKeyIXXNWUBFEFXWLT-KIYNQFGBSA-N
XLogP1.49
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-3-yl]carbamate (CID 66566325) is tert-butyl N-[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-3-yl]carbamate is CC(C)[C@H](N)C(=O)N1CCCC(NC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-3-yl]carbamate?
The InChIKey is IXXNWUBFEFXWLT-KIYNQFGBSA-N. The full InChI is InChI=1S/C15H29N3O3/c1-10(2)12(16)13(19)18-8-6-7-11(9-18)17-14(20)21-15(3,4)5/h10-12H,6-9,16H2,1-5H3,(H,17,20)/t11?,12-/m0/s1.
What are the key properties of tert-butyl N-[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-3-yl]carbamate?
tert-butyl N-[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-3-yl]carbamate has a molecular weight of 299.42 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-3-yl]carbamate is sourced from PubChem (CID 66566325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).