methyl (2R)-2-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidin-1-yl]propanoate

C15H28N2O4 — CID 95299629

IUPACmethyl (2R)-2-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidin-1-yl]propanoate
SMILESCOC(=O)[C@@H](C)N1CCC(N(C)C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H28N2O4/c1-11(13(18)20-6)17-9-7-12(8-10-17)16(5)14(19)21-15(2,3)4/h11-12H,7-10H2,1-6H3/t11-/m1/s1
InChIKeyZLTOQSUPSJLELQ-LLVKDONJSA-N
MW300.40 g/mol
LogP1.88
Rot. Bonds3

About methyl (2R)-2-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidin-1-yl]propanoate

methyl (2R)-2-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidin-1-yl]propanoate (PubChem CID 95299629) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is methyl (2R)-2-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidin-1-yl]propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidin-1-yl]propanoate
PubChem CID95299629
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Namemethyl (2R)-2-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidin-1-yl]propanoate
SMILESCOC(=O)[C@@H](C)N1CCC(N(C)C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H28N2O4/c1-11(13(18)20-6)17-9-7-12(8-10-17)16(5)14(19)21-15(2,3)4/h11-12H,7-10H2,1-6H3/t11-/m1/s1
InChIKeyZLTOQSUPSJLELQ-LLVKDONJSA-N
XLogP1.88
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-methyl-N-(1-propan-2-ylpiperidin-3-yl)carbamate
CID 119028664
methyl 4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexane-1-carboxylate
CID 23062642
tert-butyl 4-[methoxycarbonyl(methyl)amino]piperidine-1-carboxylate
CID 18187514
tert-butyl N-methyl-N-[4-(2-methylpropylamino)cyclohexyl]carbamate
CID 107255742
methyl 4-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carbonyl]cyclohexane-1-carboxylate
CID 175871812
tert-butyl N-methyl-N-[4-(methylamino)cyclohexyl]carbamate;hydrochloride
CID 18397394
tert-butyl N-(4-carbamoylcyclohexyl)-N-methylcarbamate
CID 91554229
tert-butyl N-[1-[1-[4-[(1S)-1-aminoethyl]phenyl]-2-cyclopropylethyl]piperidin-4-yl]-N-methylcarbamate
CID 166926214
tert-butyl N-[4-[(4-aminocyclohexyl)amino]cyclohexyl]-N-methylcarbamate
CID 107255751
tert-butyl N-methyl-N-(1-propylpiperidin-4-yl)carbamate
CID 63714385
tert-butyl 2-[4-(methylcarbamoyl)piperidin-1-yl]propanoate
CID 64687530
tert-butyl N-[1-(5,5-dimethoxypentyl)piperidin-4-yl]-N-methylcarbamate
CID 131721052

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidin-1-yl]propanoate?
The IUPAC name of methyl (2R)-2-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidin-1-yl]propanoate (CID 95299629) is methyl (2R)-2-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidin-1-yl]propanoate.
What is the SMILES notation for methyl (2R)-2-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidin-1-yl]propanoate?
The canonical SMILES for methyl (2R)-2-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidin-1-yl]propanoate is COC(=O)[C@@H](C)N1CCC(N(C)C(=O)OC(C)(C)C)CC1.
What is the InChIKey of methyl (2R)-2-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidin-1-yl]propanoate?
The InChIKey is ZLTOQSUPSJLELQ-LLVKDONJSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-11(13(18)20-6)17-9-7-12(8-10-17)16(5)14(19)21-15(2,3)4/h11-12H,7-10H2,1-6H3/t11-/m1/s1.
What are the key properties of methyl (2R)-2-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidin-1-yl]propanoate?
methyl (2R)-2-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidin-1-yl]propanoate has a molecular weight of 300.40 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidin-1-yl]propanoate is sourced from PubChem (CID 95299629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).