tert-butyl 3-aminocyclobutane-1-carboxylate

C9H17NO2 — CID 53308458

IUPACtert-butyl 3-aminocyclobutane-1-carboxylate
SMILESCC(C)(C)OC(=O)C1CC(N)C1
InChIInChI=1S/C9H17NO2/c1-9(2,3)12-8(11)6-4-7(10)5-6/h6-7H,4-5,10H2,1-3H3
InChIKeyKNRNVMUJMBOCRF-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.07
Rot. Bonds1

About tert-butyl 3-aminocyclobutane-1-carboxylate

tert-butyl 3-aminocyclobutane-1-carboxylate (PubChem CID 53308458) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is tert-butyl 3-aminocyclobutane-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-aminocyclobutane-1-carboxylate
PubChem CID53308458
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Nametert-butyl 3-aminocyclobutane-1-carboxylate
SMILESCC(C)(C)OC(=O)C1CC(N)C1
InChIInChI=1S/C9H17NO2/c1-9(2,3)12-8(11)6-4-7(10)5-6/h6-7H,4-5,10H2,1-3H3
InChIKeyKNRNVMUJMBOCRF-UHFFFAOYSA-N
XLogP1.07
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Tert-butyl 4-aminopentanoate hydrochloride
CID 12338830
Methyl (1r,3r)-3-aminocyclobutane-1-carboxylate
CID 39871617
Methyl 3-aminocyclobutane-1-carboxylate hydrochloride
CID 43810936
cis-tert-Butyl 3-aminocyclobutanecarboxylate hydrochloride
CID 71607404
Tert-butyl 4-aminopentanoate
CID 12338829
Ethyl 3-aminocyclobutanecarboxylate
CID 46224517
1-Methylethyl cis-3-(methylamino)cyclobutanecarboxylate
CID 146294428
cis-Ethyl 3-aminocyclobutanecarboxylate hydrochloride
CID 53308469
Isopropyl cis-3-aminocyclobutane-1-carboxylate
CID 164649392
tert-butyl (3S)-4-amino-3-methylbutanoate
CID 165827024
Tert-butyl 4-amino-5-fluoropentanoate
CID 121604775
Tert-butyl 3-amino-1-(difluoromethyl)cyclobutane-1-carboxylate
CID 165753244

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-aminocyclobutane-1-carboxylate?
The IUPAC name of tert-butyl 3-aminocyclobutane-1-carboxylate (CID 53308458) is tert-butyl 3-aminocyclobutane-1-carboxylate.
What is the SMILES notation for tert-butyl 3-aminocyclobutane-1-carboxylate?
The canonical SMILES for tert-butyl 3-aminocyclobutane-1-carboxylate is CC(C)(C)OC(=O)C1CC(N)C1.
What is the InChIKey of tert-butyl 3-aminocyclobutane-1-carboxylate?
The InChIKey is KNRNVMUJMBOCRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-9(2,3)12-8(11)6-4-7(10)5-6/h6-7H,4-5,10H2,1-3H3.
What are the key properties of tert-butyl 3-aminocyclobutane-1-carboxylate?
tert-butyl 3-aminocyclobutane-1-carboxylate has a molecular weight of 171.24 g/mol, XLogP of 1.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-aminocyclobutane-1-carboxylate is sourced from PubChem (CID 53308458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).