butan-2-yl 1-(aminomethyl)cyclopropane-1-carboxylate

C9H17NO2 — CID 115451019

IUPACbutan-2-yl 1-(aminomethyl)cyclopropane-1-carboxylate
SMILESCCC(C)OC(=O)C1(CN)CC1
InChIInChI=1S/C9H17NO2/c1-3-7(2)12-8(11)9(6-10)4-5-9/h7H,3-6,10H2,1-2H3
InChIKeyWMUHIISFKDERRC-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.07
Rot. Bonds4

About butan-2-yl 1-(aminomethyl)cyclopropane-1-carboxylate

butan-2-yl 1-(aminomethyl)cyclopropane-1-carboxylate (PubChem CID 115451019) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is butan-2-yl 1-(aminomethyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Namebutan-2-yl 1-(aminomethyl)cyclopropane-1-carboxylate
PubChem CID115451019
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Namebutan-2-yl 1-(aminomethyl)cyclopropane-1-carboxylate
SMILESCCC(C)OC(=O)C1(CN)CC1
InChIInChI=1S/C9H17NO2/c1-3-7(2)12-8(11)9(6-10)4-5-9/h7H,3-6,10H2,1-2H3
InChIKeyWMUHIISFKDERRC-UHFFFAOYSA-N
XLogP1.07
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

Analyze butan-2-yl 1-(aminomethyl)cyclopropane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of butan-2-yl 1-(aminomethyl)cyclopropane-1-carboxylate?
The IUPAC name of butan-2-yl 1-(aminomethyl)cyclopropane-1-carboxylate (CID 115451019) is butan-2-yl 1-(aminomethyl)cyclopropane-1-carboxylate.
What is the SMILES notation for butan-2-yl 1-(aminomethyl)cyclopropane-1-carboxylate?
The canonical SMILES for butan-2-yl 1-(aminomethyl)cyclopropane-1-carboxylate is CCC(C)OC(=O)C1(CN)CC1.
What is the InChIKey of butan-2-yl 1-(aminomethyl)cyclopropane-1-carboxylate?
The InChIKey is WMUHIISFKDERRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-3-7(2)12-8(11)9(6-10)4-5-9/h7H,3-6,10H2,1-2H3.
What are the key properties of butan-2-yl 1-(aminomethyl)cyclopropane-1-carboxylate?
butan-2-yl 1-(aminomethyl)cyclopropane-1-carboxylate has a molecular weight of 171.24 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yl 1-(aminomethyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 115451019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).