methyl (3S)-1-[1-(methylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate

C11H20N2O3 — CID 79037827

IUPACmethyl (3S)-1-[1-(methylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate
SMILESCNC(=O)C(C)N1CCC[C@H](C(=O)OC)C1
InChIInChI=1S/C11H20N2O3/c1-8(10(14)12-2)13-6-4-5-9(7-13)11(15)16-3/h8-9H,4-7H2,1-3H3,(H,12,14)/t8?,9-/m0/s1
InChIKeyXALGDDBVACQCOM-GKAPJAKFSA-N
MW228.29 g/mol
LogP0.01
Rot. Bonds3

About methyl (3S)-1-[1-(methylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate

methyl (3S)-1-[1-(methylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate (PubChem CID 79037827) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is methyl (3S)-1-[1-(methylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl (3S)-1-[1-(methylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate
PubChem CID79037827
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Namemethyl (3S)-1-[1-(methylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate
SMILESCNC(=O)C(C)N1CCC[C@H](C(=O)OC)C1
InChIInChI=1S/C11H20N2O3/c1-8(10(14)12-2)13-6-4-5-9(7-13)11(15)16-3/h8-9H,4-7H2,1-3H3,(H,12,14)/t8?,9-/m0/s1
InChIKeyXALGDDBVACQCOM-GKAPJAKFSA-N
XLogP0.01
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate
CID 78920334
methyl 1-[1-(ethylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate
CID 78921832
methyl 1-[1-(3-methylbutylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate
CID 78920649
methyl (3S)-1-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]piperidine-3-carboxylate
CID 79038248
methyl 1-[1-oxo-1-(prop-2-enylamino)propan-2-yl]piperidine-3-carboxylate
CID 78920485
methyl 1-[1-(diethylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate
CID 78920382
ethyl (3S)-1-[1-(carbamoylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate
CID 81360759
methyl (3S)-1-(1-cyanopropan-2-yl)piperidine-3-carboxylate
CID 79039548
ethyl (3R)-1-[1-(2-methylpropylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate
CID 81338323
2-methyl-2-[1-[1-(methylamino)-1-oxopropan-2-yl]piperidin-3-yl]propanoic acid
CID 83198222
2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methylpropanamide
CID 66291565
2-(3-ethylpyrrolidin-1-yl)-N-methylpropanamide
CID 126990123

Frequently Asked Questions

What is the IUPAC name of methyl (3S)-1-[1-(methylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate?
The IUPAC name of methyl (3S)-1-[1-(methylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate (CID 79037827) is methyl (3S)-1-[1-(methylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate.
What is the SMILES notation for methyl (3S)-1-[1-(methylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate?
The canonical SMILES for methyl (3S)-1-[1-(methylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate is CNC(=O)C(C)N1CCC[C@H](C(=O)OC)C1.
What is the InChIKey of methyl (3S)-1-[1-(methylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate?
The InChIKey is XALGDDBVACQCOM-GKAPJAKFSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-8(10(14)12-2)13-6-4-5-9(7-13)11(15)16-3/h8-9H,4-7H2,1-3H3,(H,12,14)/t8?,9-/m0/s1.
What are the key properties of methyl (3S)-1-[1-(methylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate?
methyl (3S)-1-[1-(methylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate has a molecular weight of 228.29 g/mol, XLogP of 0.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S)-1-[1-(methylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate is sourced from PubChem (CID 79037827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).