ethyl 2-(aminomethyl)-3-cyclopropyl-2-methylpropanoate

C10H19NO2 — CID 106487001

IUPACethyl 2-(aminomethyl)-3-cyclopropyl-2-methylpropanoate
SMILESCCOC(=O)C(C)(CN)CC1CC1
InChIInChI=1S/C10H19NO2/c1-3-13-9(12)10(2,7-11)6-8-4-5-8/h8H,3-7,11H2,1-2H3
InChIKeyZVXQDDYJDIWNFY-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.31
Rot. Bonds5

About ethyl 2-(aminomethyl)-3-cyclopropyl-2-methylpropanoate

ethyl 2-(aminomethyl)-3-cyclopropyl-2-methylpropanoate (PubChem CID 106487001) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is ethyl 2-(aminomethyl)-3-cyclopropyl-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 2-(aminomethyl)-3-cyclopropyl-2-methylpropanoate
PubChem CID106487001
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Nameethyl 2-(aminomethyl)-3-cyclopropyl-2-methylpropanoate
SMILESCCOC(=O)C(C)(CN)CC1CC1
InChIInChI=1S/C10H19NO2/c1-3-13-9(12)10(2,7-11)6-8-4-5-8/h8H,3-7,11H2,1-2H3
InChIKeyZVXQDDYJDIWNFY-UHFFFAOYSA-N
XLogP1.31
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(aminomethyl)-3-cyclopropyl-2-methylpropanoate
CID 106487865
2-(cyclopropylmethyl)-2-ethoxycarbonylbutanoic acid
CID 103974369
ethyl 2-(aminomethyl)-2-(cyclohexylmethyl)butanoate
CID 106487604
ethyl 2-(aminomethyl)-4,4-difluoro-2-methylbutanoate
CID 106486941
ethyl 2-(aminomethyl)-3-cyclopropyl-2-(3,5-difluorophenyl)propanoate
CID 106490318
ethyl 2-(aminomethyl)-2-(cyclobutylmethyl)-4-methylpentanoate
CID 106488952
ethyl 2-cyano-3-cyclopentyl-2-methylpropanoate
CID 114290116
methyl 2-(aminomethyl)-2-(cyclopropylmethyl)butanoate
CID 106489911
ethyl 2-(aminomethyl)-3-(3,5-dimethylphenyl)-2-methylpropanoate
CID 106487035
ethyl 2-(aminomethyl)-2-(cyclohexylmethyl)-4-methylpentanoate
CID 106488918
ethyl 2-(aminomethyl)-2-(cyclopropylmethoxymethyl)butanoate
CID 106931584
ethyl 2,2-bis(sulfanyl)propanoate
CID 88516276

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(aminomethyl)-3-cyclopropyl-2-methylpropanoate?
The IUPAC name of ethyl 2-(aminomethyl)-3-cyclopropyl-2-methylpropanoate (CID 106487001) is ethyl 2-(aminomethyl)-3-cyclopropyl-2-methylpropanoate.
What is the SMILES notation for ethyl 2-(aminomethyl)-3-cyclopropyl-2-methylpropanoate?
The canonical SMILES for ethyl 2-(aminomethyl)-3-cyclopropyl-2-methylpropanoate is CCOC(=O)C(C)(CN)CC1CC1.
What is the InChIKey of ethyl 2-(aminomethyl)-3-cyclopropyl-2-methylpropanoate?
The InChIKey is ZVXQDDYJDIWNFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-3-13-9(12)10(2,7-11)6-8-4-5-8/h8H,3-7,11H2,1-2H3.
What are the key properties of ethyl 2-(aminomethyl)-3-cyclopropyl-2-methylpropanoate?
ethyl 2-(aminomethyl)-3-cyclopropyl-2-methylpropanoate has a molecular weight of 185.27 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(aminomethyl)-3-cyclopropyl-2-methylpropanoate is sourced from PubChem (CID 106487001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).