tert-butyl N-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]carbamate

C12H24N2O3 — CID 11994635

IUPACtert-butyl N-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCN1CCCC1CO
InChIInChI=1S/C12H24N2O3/c1-12(2,3)17-11(16)13-6-8-14-7-4-5-10(14)9-15/h10,15H,4-9H2,1-3H3,(H,13,16)
InChIKeyBQCMFKQDCSXMQD-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.97
Rot. Bonds4

About tert-butyl N-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]carbamate

tert-butyl N-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]carbamate (PubChem CID 11994635) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is tert-butyl N-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]carbamate
PubChem CID11994635
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Nametert-butyl N-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCN1CCCC1CO
InChIInChI=1S/C12H24N2O3/c1-12(2,3)17-11(16)13-6-8-14-7-4-5-10(14)9-15/h10,15H,4-9H2,1-3H3,(H,13,16)
InChIKeyBQCMFKQDCSXMQD-UHFFFAOYSA-N
XLogP0.97
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]carbamate (CID 11994635) is tert-butyl N-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]carbamate is CC(C)(C)OC(=O)NCCN1CCCC1CO.
What is the InChIKey of tert-butyl N-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]carbamate?
The InChIKey is BQCMFKQDCSXMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-12(2,3)17-11(16)13-6-8-14-7-4-5-10(14)9-15/h10,15H,4-9H2,1-3H3,(H,13,16).
What are the key properties of tert-butyl N-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]carbamate?
tert-butyl N-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]carbamate has a molecular weight of 244.33 g/mol, XLogP of 0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]carbamate is sourced from PubChem (CID 11994635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).