tert-butyl (2S)-3-methyl-2-[[(2S)-piperidine-2-carbonyl]amino]butanoate

C15H28N2O3 — CID 11778633

IUPACtert-butyl (2S)-3-methyl-2-[[(2S)-piperidine-2-carbonyl]amino]butanoate
SMILESCC(C)[C@H](NC(=O)[C@@H]1CCCCN1)C(=O)OC(C)(C)C
InChIInChI=1S/C15H28N2O3/c1-10(2)12(14(19)20-15(3,4)5)17-13(18)11-8-6-7-9-16-11/h10-12,16H,6-9H2,1-5H3,(H,17,18)/t11-,12-/m0/s1
InChIKeyPUFIWXMLOFWSBU-RYUDHWBXSA-N
MW284.40 g/mol
LogP1.61
Rot. Bonds4

About tert-butyl (2S)-3-methyl-2-[[(2S)-piperidine-2-carbonyl]amino]butanoate

tert-butyl (2S)-3-methyl-2-[[(2S)-piperidine-2-carbonyl]amino]butanoate (PubChem CID 11778633) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is tert-butyl (2S)-3-methyl-2-[[(2S)-piperidine-2-carbonyl]amino]butanoate.

Molecular Properties

Compound Nametert-butyl (2S)-3-methyl-2-[[(2S)-piperidine-2-carbonyl]amino]butanoate
PubChem CID11778633
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Nametert-butyl (2S)-3-methyl-2-[[(2S)-piperidine-2-carbonyl]amino]butanoate
SMILESCC(C)[C@H](NC(=O)[C@@H]1CCCCN1)C(=O)OC(C)(C)C
InChIInChI=1S/C15H28N2O3/c1-10(2)12(14(19)20-15(3,4)5)17-13(18)11-8-6-7-9-16-11/h10-12,16H,6-9H2,1-5H3,(H,17,18)/t11-,12-/m0/s1
InChIKeyPUFIWXMLOFWSBU-RYUDHWBXSA-N
XLogP1.61
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl (2S)-3-methyl-2-[[(2S)-piperidine-2-carbonyl]amino]butanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-N-(1-amino-3-methyl-1-oxobutan-2-yl)piperidine-2-carboxamide
CID 106344923
N-(3,3-dimethylbutan-2-yl)azocane-2-carboxamide
CID 114240215
tert-butyl (2S)-3-methyl-2-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]butanoate
CID 103762213
tert-butyl (2S)-2-(cyclopropanecarbonylamino)-3-methylbutanoate
CID 80707687
tert-butyl (2S)-3-methyl-2-(pyrrolidine-3-carbonylamino)butanoate
CID 175766153
methyl 3-methyl-2-[[(2S)-piperidine-2-carbonyl]amino]pentanoate
CID 104913149
N-(5,5-dimethylhexan-2-yl)piperidine-2-carboxamide;hydrochloride
CID 119330827
(2S)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)pyrrolidine-2-carboxamide
CID 57438438
benzyl 3-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoate
CID 174989409
tert-butyl (2R)-3-phenyl-2-[[(2S)-piperidine-2-carbonyl]amino]propanoate
CID 10314727
tert-butyl (2S)-3-methyl-2-[[(2S)-3-phenyl-2-[[(2S)-piperidine-2-carbonyl]amino]propanoyl]amino]pentanoate
CID 10366250
tert-butyl (2R)-3-methyl-2-[[(2S)-oxolane-2-carbonyl]amino]butanoate
CID 103873195

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-3-methyl-2-[[(2S)-piperidine-2-carbonyl]amino]butanoate?
The IUPAC name of tert-butyl (2S)-3-methyl-2-[[(2S)-piperidine-2-carbonyl]amino]butanoate (CID 11778633) is tert-butyl (2S)-3-methyl-2-[[(2S)-piperidine-2-carbonyl]amino]butanoate.
What is the SMILES notation for tert-butyl (2S)-3-methyl-2-[[(2S)-piperidine-2-carbonyl]amino]butanoate?
The canonical SMILES for tert-butyl (2S)-3-methyl-2-[[(2S)-piperidine-2-carbonyl]amino]butanoate is CC(C)[C@H](NC(=O)[C@@H]1CCCCN1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2S)-3-methyl-2-[[(2S)-piperidine-2-carbonyl]amino]butanoate?
The InChIKey is PUFIWXMLOFWSBU-RYUDHWBXSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-10(2)12(14(19)20-15(3,4)5)17-13(18)11-8-6-7-9-16-11/h10-12,16H,6-9H2,1-5H3,(H,17,18)/t11-,12-/m0/s1.
What are the key properties of tert-butyl (2S)-3-methyl-2-[[(2S)-piperidine-2-carbonyl]amino]butanoate?
tert-butyl (2S)-3-methyl-2-[[(2S)-piperidine-2-carbonyl]amino]butanoate has a molecular weight of 284.40 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-3-methyl-2-[[(2S)-piperidine-2-carbonyl]amino]butanoate is sourced from PubChem (CID 11778633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).