tert-butyl N-[2-oxo-3-[(2-oxopyrrolidin-3-yl)methyl-propanoylamino]propyl]carbamate

C16H27N3O5 — CID 165399236

IUPACtert-butyl N-[2-oxo-3-[(2-oxopyrrolidin-3-yl)methyl-propanoylamino]propyl]carbamate
SMILESCCC(=O)N(CC(=O)CNC(=O)OC(C)(C)C)CC1CCNC1=O
InChIInChI=1S/C16H27N3O5/c1-5-13(21)19(9-11-6-7-17-14(11)22)10-12(20)8-18-15(23)24-16(2,3)4/h11H,5-10H2,1-4H3,(H,17,22)(H,18,23)
InChIKeyHFCZVKCIRIPQCA-UHFFFAOYSA-N
MW341.41 g/mol
LogP0.45
Rot. Bonds7

About tert-butyl N-[2-oxo-3-[(2-oxopyrrolidin-3-yl)methyl-propanoylamino]propyl]carbamate

tert-butyl N-[2-oxo-3-[(2-oxopyrrolidin-3-yl)methyl-propanoylamino]propyl]carbamate (PubChem CID 165399236) has the molecular formula C16H27N3O5 and a molecular weight of 341.41 g/mol. Its IUPAC name is tert-butyl N-[2-oxo-3-[(2-oxopyrrolidin-3-yl)methyl-propanoylamino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-oxo-3-[(2-oxopyrrolidin-3-yl)methyl-propanoylamino]propyl]carbamate
PubChem CID165399236
Molecular FormulaC16H27N3O5
Molecular Weight341.41 g/mol
Exact Mass341.20
IUPAC Nametert-butyl N-[2-oxo-3-[(2-oxopyrrolidin-3-yl)methyl-propanoylamino]propyl]carbamate
SMILESCCC(=O)N(CC(=O)CNC(=O)OC(C)(C)C)CC1CCNC1=O
InChIInChI=1S/C16H27N3O5/c1-5-13(21)19(9-11-6-7-17-14(11)22)10-12(20)8-18-15(23)24-16(2,3)4/h11H,5-10H2,1-4H3,(H,17,22)(H,18,23)
InChIKeyHFCZVKCIRIPQCA-UHFFFAOYSA-N
XLogP0.45
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[(2-oxopyrrolidin-3-yl)methyl]carbamate
CID 105467597
tert-butyl N-[(3S)-1-[(2-chloroacetyl)-[[(3S)-2-oxopyrrolidin-3-yl]methyl]amino]-5-methyl-2-oxohexan-3-yl]carbamate
CID 165384466
tert-butyl N-[2-oxo-2-[[1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]ethyl]carbamate
CID 166157042
tert-butyl N-amino-N-[[(3S)-2-oxopyrrolidin-3-yl]methyl]carbamate
CID 162739122
tert-butyl N-[(2S)-2-[(3R)-2-oxopyrrolidin-3-yl]butyl]carbamate
CID 23245298
(3,3-difluorocyclobutyl) N-[(3S)-5-methyl-2-oxo-1-[[(3S)-2-oxopyrrolidin-3-yl]methyl-propanoylamino]hexan-3-yl]carbamate
CID 167692015
methyl 2-[tert-butyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate
CID 164544218
ethyl (E,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate;methane
CID 157472085
tert-butyl N-[[(3S)-2-oxoazetidin-3-yl]methyl]carbamate
CID 125489322
(4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoic acid
CID 91506525
tert-butyl N-[(2S)-3,4,4-trihydroxy-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]carbamate
CID 166936770
ethane;methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2-oxopyrrolidin-3-yl)propanoate
CID 142046248

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-oxo-3-[(2-oxopyrrolidin-3-yl)methyl-propanoylamino]propyl]carbamate?
The IUPAC name of tert-butyl N-[2-oxo-3-[(2-oxopyrrolidin-3-yl)methyl-propanoylamino]propyl]carbamate (CID 165399236) is tert-butyl N-[2-oxo-3-[(2-oxopyrrolidin-3-yl)methyl-propanoylamino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-oxo-3-[(2-oxopyrrolidin-3-yl)methyl-propanoylamino]propyl]carbamate?
The canonical SMILES for tert-butyl N-[2-oxo-3-[(2-oxopyrrolidin-3-yl)methyl-propanoylamino]propyl]carbamate is CCC(=O)N(CC(=O)CNC(=O)OC(C)(C)C)CC1CCNC1=O.
What is the InChIKey of tert-butyl N-[2-oxo-3-[(2-oxopyrrolidin-3-yl)methyl-propanoylamino]propyl]carbamate?
The InChIKey is HFCZVKCIRIPQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O5/c1-5-13(21)19(9-11-6-7-17-14(11)22)10-12(20)8-18-15(23)24-16(2,3)4/h11H,5-10H2,1-4H3,(H,17,22)(H,18,23).
What are the key properties of tert-butyl N-[2-oxo-3-[(2-oxopyrrolidin-3-yl)methyl-propanoylamino]propyl]carbamate?
tert-butyl N-[2-oxo-3-[(2-oxopyrrolidin-3-yl)methyl-propanoylamino]propyl]carbamate has a molecular weight of 341.41 g/mol, XLogP of 0.45, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-oxo-3-[(2-oxopyrrolidin-3-yl)methyl-propanoylamino]propyl]carbamate is sourced from PubChem (CID 165399236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).