tert-butyl 1-(aminomethyl)cyclopropane-1-carboxylate

C9H17NO2 — CID 53407163

IUPACtert-butyl 1-(aminomethyl)cyclopropane-1-carboxylate
SMILESCC(C)(C)OC(=O)C1(CN)CC1
InChIInChI=1S/C9H17NO2/c1-8(2,3)12-7(11)9(6-10)4-5-9/h4-6,10H2,1-3H3
InChIKeyVKMKOHKFVXVSFK-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.07
Rot. Bonds2

About tert-butyl 1-(aminomethyl)cyclopropane-1-carboxylate

tert-butyl 1-(aminomethyl)cyclopropane-1-carboxylate (PubChem CID 53407163) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is tert-butyl 1-(aminomethyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 1-(aminomethyl)cyclopropane-1-carboxylate
PubChem CID53407163
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Nametert-butyl 1-(aminomethyl)cyclopropane-1-carboxylate
SMILESCC(C)(C)OC(=O)C1(CN)CC1
InChIInChI=1S/C9H17NO2/c1-8(2,3)12-7(11)9(6-10)4-5-9/h4-6,10H2,1-3H3
InChIKeyVKMKOHKFVXVSFK-UHFFFAOYSA-N
XLogP1.07
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-(aminomethyl)cyclopropane-1-carboxylate?
The IUPAC name of tert-butyl 1-(aminomethyl)cyclopropane-1-carboxylate (CID 53407163) is tert-butyl 1-(aminomethyl)cyclopropane-1-carboxylate.
What is the SMILES notation for tert-butyl 1-(aminomethyl)cyclopropane-1-carboxylate?
The canonical SMILES for tert-butyl 1-(aminomethyl)cyclopropane-1-carboxylate is CC(C)(C)OC(=O)C1(CN)CC1.
What is the InChIKey of tert-butyl 1-(aminomethyl)cyclopropane-1-carboxylate?
The InChIKey is VKMKOHKFVXVSFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-8(2,3)12-7(11)9(6-10)4-5-9/h4-6,10H2,1-3H3.
What are the key properties of tert-butyl 1-(aminomethyl)cyclopropane-1-carboxylate?
tert-butyl 1-(aminomethyl)cyclopropane-1-carboxylate has a molecular weight of 171.24 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1-(aminomethyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 53407163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).