tert-butyl N-[1-oxo-1-(pyrrolidin-3-ylamino)propan-2-yl]carbamate

C12H23N3O3 — CID 14555449

IUPACtert-butyl N-[1-oxo-1-(pyrrolidin-3-ylamino)propan-2-yl]carbamate
SMILESCC(NC(=O)OC(C)(C)C)C(=O)NC1CCNC1
InChIInChI=1S/C12H23N3O3/c1-8(14-11(17)18-12(2,3)4)10(16)15-9-5-6-13-7-9/h8-9,13H,5-7H2,1-4H3,(H,14,17)(H,15,16)
InChIKeyLUQCQTCJUWASKJ-UHFFFAOYSA-N
MW257.33 g/mol
LogP0.38
Rot. Bonds3

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

tert-butyl N-[1-oxo-1-(pyrrolidin-3-ylamino)propan-2-yl]carbamate (PubChem CID 14555449) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is tert-butyl N-[1-oxo-1-(pyrrolidin-3-ylamino)propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-oxo-1-(pyrrolidin-3-ylamino)propan-2-yl]carbamate
PubChem CID14555449
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Nametert-butyl N-[1-oxo-1-(pyrrolidin-3-ylamino)propan-2-yl]carbamate
SMILESCC(NC(=O)OC(C)(C)C)C(=O)NC1CCNC1
InChIInChI=1S/C12H23N3O3/c1-8(14-11(17)18-12(2,3)4)10(16)15-9-5-6-13-7-9/h8-9,13H,5-7H2,1-4H3,(H,14,17)(H,15,16)
InChIKeyLUQCQTCJUWASKJ-UHFFFAOYSA-N
XLogP0.38
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-oxo-1-(pyrrolidin-3-ylamino)propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-oxo-1-(pyrrolidin-3-ylamino)propan-2-yl]carbamate (CID 14555449) is tert-butyl N-[1-oxo-1-(pyrrolidin-3-ylamino)propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-oxo-1-(pyrrolidin-3-ylamino)propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-oxo-1-(pyrrolidin-3-ylamino)propan-2-yl]carbamate is CC(NC(=O)OC(C)(C)C)C(=O)NC1CCNC1.
What is the InChIKey of tert-butyl N-[1-oxo-1-(pyrrolidin-3-ylamino)propan-2-yl]carbamate?
The InChIKey is LUQCQTCJUWASKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-8(14-11(17)18-12(2,3)4)10(16)15-9-5-6-13-7-9/h8-9,13H,5-7H2,1-4H3,(H,14,17)(H,15,16).
What are the key properties of tert-butyl N-[1-oxo-1-(pyrrolidin-3-ylamino)propan-2-yl]carbamate?
tert-butyl N-[1-oxo-1-(pyrrolidin-3-ylamino)propan-2-yl]carbamate has a molecular weight of 257.33 g/mol, XLogP of 0.38, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-oxo-1-(pyrrolidin-3-ylamino)propan-2-yl]carbamate is sourced from PubChem (CID 14555449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).