tert-butyl formate;[(2S)-pyrrolidin-2-yl]methanamine

C10H22N2O2 — CID 174792425

IUPACtert-butyl formate;[(2S)-pyrrolidin-2-yl]methanamine
SMILESCC(C)(C)OC=O.NC[C@@H]1CCCN1
InChIInChI=1S/C5H12N2.C5H10O2/c6-4-5-2-1-3-7-5;1-5(2,3)7-4-6/h5,7H,1-4,6H2;4H,1-3H3/t5-;/m0./s1
InChIKeyHLVCKDIVUDERET-JEDNCBNOSA-N
MW202.30 g/mol
LogP0.65
Rot. Bonds2

About tert-butyl formate;[(2S)-pyrrolidin-2-yl]methanamine

tert-butyl formate;[(2S)-pyrrolidin-2-yl]methanamine (PubChem CID 174792425) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is tert-butyl formate;[(2S)-pyrrolidin-2-yl]methanamine.

Molecular Properties

Compound Nametert-butyl formate;[(2S)-pyrrolidin-2-yl]methanamine
PubChem CID174792425
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Nametert-butyl formate;[(2S)-pyrrolidin-2-yl]methanamine
SMILESCC(C)(C)OC=O.NC[C@@H]1CCCN1
InChIInChI=1S/C5H12N2.C5H10O2/c6-4-5-2-1-3-7-5;1-5(2,3)7-4-6/h5,7H,1-4,6H2;4H,1-3H3/t5-;/m0./s1
InChIKeyHLVCKDIVUDERET-JEDNCBNOSA-N
XLogP0.65
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl formate;[(2S)-pyrrolidin-2-yl]methanamine?
The IUPAC name of tert-butyl formate;[(2S)-pyrrolidin-2-yl]methanamine (CID 174792425) is tert-butyl formate;[(2S)-pyrrolidin-2-yl]methanamine.
What is the SMILES notation for tert-butyl formate;[(2S)-pyrrolidin-2-yl]methanamine?
The canonical SMILES for tert-butyl formate;[(2S)-pyrrolidin-2-yl]methanamine is CC(C)(C)OC=O.NC[C@@H]1CCCN1.
What is the InChIKey of tert-butyl formate;[(2S)-pyrrolidin-2-yl]methanamine?
The InChIKey is HLVCKDIVUDERET-JEDNCBNOSA-N. The full InChI is InChI=1S/C5H12N2.C5H10O2/c6-4-5-2-1-3-7-5;1-5(2,3)7-4-6/h5,7H,1-4,6H2;4H,1-3H3/t5-;/m0./s1.
What are the key properties of tert-butyl formate;[(2S)-pyrrolidin-2-yl]methanamine?
tert-butyl formate;[(2S)-pyrrolidin-2-yl]methanamine has a molecular weight of 202.30 g/mol, XLogP of 0.65, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl formate;[(2S)-pyrrolidin-2-yl]methanamine is sourced from PubChem (CID 174792425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).