tert-butyl N-[1-amino-1-oxo-3-(2-oxopiperidin-3-yl)propan-2-yl]carbamate

C13H23N3O4 — CID 167238360

IUPACtert-butyl N-[1-amino-1-oxo-3-(2-oxopiperidin-3-yl)propan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC(CC1CCCNC1=O)C(N)=O
InChIInChI=1S/C13H23N3O4/c1-13(2,3)20-12(19)16-9(10(14)17)7-8-5-4-6-15-11(8)18/h8-9H,4-7H2,1-3H3,(H2,14,17)(H,15,18)(H,16,19)
InChIKeyWXEYHBRHQFSIFF-UHFFFAOYSA-N
MW285.34 g/mol
LogP0.28
Rot. Bonds4

About tert-butyl N-[1-amino-1-oxo-3-(2-oxopiperidin-3-yl)propan-2-yl]carbamate

tert-butyl N-[1-amino-1-oxo-3-(2-oxopiperidin-3-yl)propan-2-yl]carbamate (PubChem CID 167238360) has the molecular formula C13H23N3O4 and a molecular weight of 285.34 g/mol. Its IUPAC name is tert-butyl N-[1-amino-1-oxo-3-(2-oxopiperidin-3-yl)propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-amino-1-oxo-3-(2-oxopiperidin-3-yl)propan-2-yl]carbamate
PubChem CID167238360
Molecular FormulaC13H23N3O4
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Nametert-butyl N-[1-amino-1-oxo-3-(2-oxopiperidin-3-yl)propan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC(CC1CCCNC1=O)C(N)=O
InChIInChI=1S/C13H23N3O4/c1-13(2,3)20-12(19)16-9(10(14)17)7-8-5-4-6-15-11(8)18/h8-9H,4-7H2,1-3H3,(H2,14,17)(H,15,18)(H,16,19)
InChIKeyWXEYHBRHQFSIFF-UHFFFAOYSA-N
XLogP0.28
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2-oxopyrrolidin-3-yl)propanoate
CID 142046248
tert-butyl N-[(2S)-1-[[(2S)-4-chloro-3-oxo-1-[(3S)-2-oxopiperidin-3-yl]butan-2-yl]amino]-4,4-dimethyl-1-oxopentan-2-yl]carbamate
CID 164544240
tert-butyl N-[4-(3,3-difluoroazetidin-1-yl)-3,4-dioxo-1-(2-oxopiperidin-3-yl)butan-2-yl]carbamate;ethane
CID 168941896
tert-butyl N-[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pent-4-en-2-yl]carbamate
CID 162695922
tert-butyl N-[1-oxo-3-(2-oxopiperidin-3-yl)-1-[(6-oxo-1H-pyridin-3-yl)amino]propan-2-yl]carbamate
CID 166390870
[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-4,4,6,6-tetramethyl-1-oxoheptan-2-yl] carbamate
CID 162478928
tert-butyl N-[(2S)-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-3,4-dioxo-1-[(3S)-2-oxopiperidin-3-yl]butan-2-yl]carbamate
CID 177068195
methyl 2-[[3-cyclobutyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate
CID 175458211
tert-butyl N-[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(1,1,3,3-tetrafluoropropan-2-yloxy)butan-2-yl]carbamate
CID 166170476
2-[[3-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-(2-oxopyrrolidin-3-yl)propanoic acid
CID 175458087
tert-butyl N-[1-[(3S)-2-oxopiperidin-3-yl]-4-phenylbut-3-yn-2-yl]carbamate
CID 172548452
[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-4-[(3S)-2-oxopyrrolidin-3-yl]butyl] benzoate
CID 162695583

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-amino-1-oxo-3-(2-oxopiperidin-3-yl)propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-amino-1-oxo-3-(2-oxopiperidin-3-yl)propan-2-yl]carbamate (CID 167238360) is tert-butyl N-[1-amino-1-oxo-3-(2-oxopiperidin-3-yl)propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-amino-1-oxo-3-(2-oxopiperidin-3-yl)propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-amino-1-oxo-3-(2-oxopiperidin-3-yl)propan-2-yl]carbamate is CC(C)(C)OC(=O)NC(CC1CCCNC1=O)C(N)=O.
What is the InChIKey of tert-butyl N-[1-amino-1-oxo-3-(2-oxopiperidin-3-yl)propan-2-yl]carbamate?
The InChIKey is WXEYHBRHQFSIFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4/c1-13(2,3)20-12(19)16-9(10(14)17)7-8-5-4-6-15-11(8)18/h8-9H,4-7H2,1-3H3,(H2,14,17)(H,15,18)(H,16,19).
What are the key properties of tert-butyl N-[1-amino-1-oxo-3-(2-oxopiperidin-3-yl)propan-2-yl]carbamate?
tert-butyl N-[1-amino-1-oxo-3-(2-oxopiperidin-3-yl)propan-2-yl]carbamate has a molecular weight of 285.34 g/mol, XLogP of 0.28, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-amino-1-oxo-3-(2-oxopiperidin-3-yl)propan-2-yl]carbamate is sourced from PubChem (CID 167238360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).