tert-butyl N-[(1S,4R)-4-(aminomethyl)cyclopent-2-en-1-yl]carbamate

C11H20N2O2 — CID 21109983

IUPACtert-butyl N-[(1S,4R)-4-(aminomethyl)cyclopent-2-en-1-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1C=C[C@H](CN)C1
InChIInChI=1S/C11H20N2O2/c1-11(2,3)15-10(14)13-9-5-4-8(6-9)7-12/h4-5,8-9H,6-7,12H2,1-3H3,(H,13,14)/t8-,9+/m0/s1
InChIKeyJYUWBWRGSMBQIS-DTWKUNHWSA-N
MW212.29 g/mol
LogP1.41
Rot. Bonds2

About tert-butyl N-[(1S,4R)-4-(aminomethyl)cyclopent-2-en-1-yl]carbamate

tert-butyl N-[(1S,4R)-4-(aminomethyl)cyclopent-2-en-1-yl]carbamate (PubChem CID 21109983) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is tert-butyl N-[(1S,4R)-4-(aminomethyl)cyclopent-2-en-1-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S,4R)-4-(aminomethyl)cyclopent-2-en-1-yl]carbamate
PubChem CID21109983
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Nametert-butyl N-[(1S,4R)-4-(aminomethyl)cyclopent-2-en-1-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1C=C[C@H](CN)C1
InChIInChI=1S/C11H20N2O2/c1-11(2,3)15-10(14)13-9-5-4-8(6-9)7-12/h4-5,8-9H,6-7,12H2,1-3H3,(H,13,14)/t8-,9+/m0/s1
InChIKeyJYUWBWRGSMBQIS-DTWKUNHWSA-N
XLogP1.41
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S,4R)-4-(aminomethyl)cyclopent-2-en-1-yl]carbamate?
The IUPAC name of tert-butyl N-[(1S,4R)-4-(aminomethyl)cyclopent-2-en-1-yl]carbamate (CID 21109983) is tert-butyl N-[(1S,4R)-4-(aminomethyl)cyclopent-2-en-1-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S,4R)-4-(aminomethyl)cyclopent-2-en-1-yl]carbamate?
The canonical SMILES for tert-butyl N-[(1S,4R)-4-(aminomethyl)cyclopent-2-en-1-yl]carbamate is CC(C)(C)OC(=O)N[C@@H]1C=C[C@H](CN)C1.
What is the InChIKey of tert-butyl N-[(1S,4R)-4-(aminomethyl)cyclopent-2-en-1-yl]carbamate?
The InChIKey is JYUWBWRGSMBQIS-DTWKUNHWSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-11(2,3)15-10(14)13-9-5-4-8(6-9)7-12/h4-5,8-9H,6-7,12H2,1-3H3,(H,13,14)/t8-,9+/m0/s1.
What are the key properties of tert-butyl N-[(1S,4R)-4-(aminomethyl)cyclopent-2-en-1-yl]carbamate?
tert-butyl N-[(1S,4R)-4-(aminomethyl)cyclopent-2-en-1-yl]carbamate has a molecular weight of 212.29 g/mol, XLogP of 1.41, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S,4R)-4-(aminomethyl)cyclopent-2-en-1-yl]carbamate is sourced from PubChem (CID 21109983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).