methyl (2R)-1-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]piperidine-2-carboxylate

C15H28N2O3 — CID 115537909

IUPACmethyl (2R)-1-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]piperidine-2-carboxylate
SMILESCCC(C)(C)NC(=O)C(C)N1CCCC[C@@H]1C(=O)OC
InChIInChI=1S/C15H28N2O3/c1-6-15(3,4)16-13(18)11(2)17-10-8-7-9-12(17)14(19)20-5/h11-12H,6-10H2,1-5H3,(H,16,18)/t11?,12-/m1/s1
InChIKeyLWZURLJQQJIASF-PIJUOVFKSA-N
MW284.40 g/mol
LogP1.71
Rot. Bonds5

About methyl (2R)-1-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]piperidine-2-carboxylate

methyl (2R)-1-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]piperidine-2-carboxylate (PubChem CID 115537909) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is methyl (2R)-1-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-1-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]piperidine-2-carboxylate
PubChem CID115537909
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Namemethyl (2R)-1-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]piperidine-2-carboxylate
SMILESCCC(C)(C)NC(=O)C(C)N1CCCC[C@@H]1C(=O)OC
InChIInChI=1S/C15H28N2O3/c1-6-15(3,4)16-13(18)11(2)17-10-8-7-9-12(17)14(19)20-5/h11-12H,6-10H2,1-5H3,(H,16,18)/t11?,12-/m1/s1
InChIKeyLWZURLJQQJIASF-PIJUOVFKSA-N
XLogP1.71
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl (2R)-1-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]piperidine-2-carboxylate with MolForge

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Related Compounds

methyl (2S)-1-[1-(tert-butylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylate
CID 129133775
methyl (2R)-1-[1-oxo-1-(propylamino)propan-2-yl]piperidine-2-carboxylate
CID 115537824
ethyl 1-[1-(tert-butylamino)-1-oxopropan-2-yl]piperidine-2-carboxylate
CID 78913541
methyl 1-(1-ethoxy-1-oxopropan-2-yl)piperidine-2-carboxylate
CID 115536932
methyl 1-[1-oxo-1-(pentylamino)propan-2-yl]piperidine-2-carboxylate
CID 115536975
2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(2-methylbutan-2-yl)propanamide
CID 66261743
ethyl 1-[1-(tert-butylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylate
CID 62028386
ethyl 1-[1-(carbamoylamino)-1-oxopropan-2-yl]piperidine-2-carboxylate
CID 78912886
ethyl 1-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]piperidine-2-carboxylate
CID 115539233
N-(2-methylbutan-2-yl)-2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]propanamide
CID 63847901
methyl 1-(1-cyanopropan-2-yl)piperidine-2-carboxylate
CID 115536923
ethyl 1-[1-oxo-1-(pentylamino)propan-2-yl]piperidine-2-carboxylate
CID 115539289

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-1-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]piperidine-2-carboxylate?
The IUPAC name of methyl (2R)-1-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]piperidine-2-carboxylate (CID 115537909) is methyl (2R)-1-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]piperidine-2-carboxylate.
What is the SMILES notation for methyl (2R)-1-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]piperidine-2-carboxylate?
The canonical SMILES for methyl (2R)-1-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]piperidine-2-carboxylate is CCC(C)(C)NC(=O)C(C)N1CCCC[C@@H]1C(=O)OC.
What is the InChIKey of methyl (2R)-1-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]piperidine-2-carboxylate?
The InChIKey is LWZURLJQQJIASF-PIJUOVFKSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-6-15(3,4)16-13(18)11(2)17-10-8-7-9-12(17)14(19)20-5/h11-12H,6-10H2,1-5H3,(H,16,18)/t11?,12-/m1/s1.
What are the key properties of methyl (2R)-1-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]piperidine-2-carboxylate?
methyl (2R)-1-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]piperidine-2-carboxylate has a molecular weight of 284.40 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-1-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]piperidine-2-carboxylate is sourced from PubChem (CID 115537909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).