ethyl 3-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-3-oxopropanoate

C15H26N2O5 — CID 174735969

IUPACethyl 3-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-3-oxopropanoate
SMILESCCOC(=O)CC(=O)N1CCC[C@@H](NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H26N2O5/c1-5-21-13(19)9-12(18)17-8-6-7-11(10-17)16-14(20)22-15(2,3)4/h11H,5-10H2,1-4H3,(H,16,20)/t11-/m1/s1
InChIKeyWPOBCDLQKJVENR-LLVKDONJSA-N
MW314.38 g/mol
LogP1.46
Rot. Bonds4

About ethyl 3-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-3-oxopropanoate

ethyl 3-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-3-oxopropanoate (PubChem CID 174735969) has the molecular formula C15H26N2O5 and a molecular weight of 314.38 g/mol. Its IUPAC name is ethyl 3-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-3-oxopropanoate.

Molecular Properties

Compound Nameethyl 3-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-3-oxopropanoate
PubChem CID174735969
Molecular FormulaC15H26N2O5
Molecular Weight314.38 g/mol
Exact Mass314.18
IUPAC Nameethyl 3-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-3-oxopropanoate
SMILESCCOC(=O)CC(=O)N1CCC[C@@H](NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H26N2O5/c1-5-21-13(19)9-12(18)17-8-6-7-11(10-17)16-14(20)22-15(2,3)4/h11H,5-10H2,1-4H3,(H,16,20)/t11-/m1/s1
InChIKeyWPOBCDLQKJVENR-LLVKDONJSA-N
XLogP1.46
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[1-(2-chloroacetyl)piperidin-3-yl]carbamate
CID 66566123
ethyl N-[1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidin-3-yl]carbamate
CID 115949885
tert-butyl N-[(3R)-1-(cyclobutanecarbonyl)piperidin-3-yl]carbamate
CID 66925793
tert-butyl (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]azepane-1-carboxylate
CID 171397391
ethyl N-[1-(3-aminopropanoyl)piperidin-3-yl]carbamate
CID 54873265
tert-butyl N-[(3S)-1-(prop-2-ynylcarbamoyl)piperidin-3-yl]carbamate
CID 94193162
ethyl N-[1-[2-(cyclopropylamino)acetyl]piperidin-3-yl]carbamate
CID 54873299
tert-butyl N-[(3R)-1-(2-methylpropylcarbamoyl)piperidin-3-yl]carbamate
CID 94648216
tert-butyl N-[(3R)-1-[2-(methylamino)acetyl]pyrrolidin-3-yl]carbamate
CID 70792371
tert-butyl N-[(3R)-1-(3-chloropropanoyl)pyrrolidin-3-yl]carbamate
CID 170409265
ethyl N-[1-(3-amino-2,2,3-trimethylbutanoyl)piperidin-3-yl]carbamate
CID 65269908
ethyl N-[1-[2-(2-aminoethoxy)acetyl]piperidin-3-yl]carbamate
CID 79473770

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-3-oxopropanoate?
The IUPAC name of ethyl 3-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-3-oxopropanoate (CID 174735969) is ethyl 3-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-3-oxopropanoate.
What is the SMILES notation for ethyl 3-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-3-oxopropanoate?
The canonical SMILES for ethyl 3-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-3-oxopropanoate is CCOC(=O)CC(=O)N1CCC[C@@H](NC(=O)OC(C)(C)C)C1.
What is the InChIKey of ethyl 3-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-3-oxopropanoate?
The InChIKey is WPOBCDLQKJVENR-LLVKDONJSA-N. The full InChI is InChI=1S/C15H26N2O5/c1-5-21-13(19)9-12(18)17-8-6-7-11(10-17)16-14(20)22-15(2,3)4/h11H,5-10H2,1-4H3,(H,16,20)/t11-/m1/s1.
What are the key properties of ethyl 3-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-3-oxopropanoate?
ethyl 3-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-3-oxopropanoate has a molecular weight of 314.38 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-3-oxopropanoate is sourced from PubChem (CID 174735969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).