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

C9H17NO2 — CID 106487865

IUPACmethyl 2-(aminomethyl)-3-cyclopropyl-2-methylpropanoate
SMILESCOC(=O)C(C)(CN)CC1CC1
InChIInChI=1S/C9H17NO2/c1-9(6-10,8(11)12-2)5-7-3-4-7/h7H,3-6,10H2,1-2H3
InChIKeyQRDZALWOLZMWBI-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.92
Rot. Bonds4

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

methyl 2-(aminomethyl)-3-cyclopropyl-2-methylpropanoate (PubChem CID 106487865) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is methyl 2-(aminomethyl)-3-cyclopropyl-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-(aminomethyl)-3-cyclopropyl-2-methylpropanoate
PubChem CID106487865
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Namemethyl 2-(aminomethyl)-3-cyclopropyl-2-methylpropanoate
SMILESCOC(=O)C(C)(CN)CC1CC1
InChIInChI=1S/C9H17NO2/c1-9(6-10,8(11)12-2)5-7-3-4-7/h7H,3-6,10H2,1-2H3
InChIKeyQRDZALWOLZMWBI-UHFFFAOYSA-N
XLogP0.92
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 ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(aminomethyl)-3-cyclopropyl-2-methylpropanoate
CID 106487001
methyl 2-(aminomethyl)-2-(cyclopropylmethyl)butanoate
CID 106489911
methyl 2-(aminomethyl)-2-(cyclopropylmethyl)heptanoate
CID 106489994
methyl 2-(aminomethyl)-2-(cyclopropylmethyl)-4-propoxybutanoate
CID 106489904
methyl 2-(aminomethyl)-3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-methylpropanoate
CID 106487946
tert-butyl N-(1-amino-3-cyclopropyl-2-methylpropan-2-yl)carbamate
CID 84726052
cyclopropylmethyl 3-amino-2,2-dimethylpropanoate
CID 115428189
methyl 2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-2-methylpropanoate
CID 79527399
dimethyl 2-(aminomethyl)-2-methylpropanedioate;hydrochloride
CID 146155521
tert-butyl 2-amino-3-cyclopropyl-2-methylpropanoate
CID 90204397
methyl 2-amino-5-cyclopropyl-4,4-difluoro-2-(methylamino)pentanoate
CID 123616080
methyl 2-(aminomethyl)-2-(cyclopropylmethyl)-3-(1,3-thiazol-2-yl)propanoate
CID 106489927

Frequently Asked Questions

What is the IUPAC name of methyl 2-(aminomethyl)-3-cyclopropyl-2-methylpropanoate?
The IUPAC name of methyl 2-(aminomethyl)-3-cyclopropyl-2-methylpropanoate (CID 106487865) is methyl 2-(aminomethyl)-3-cyclopropyl-2-methylpropanoate.
What is the SMILES notation for methyl 2-(aminomethyl)-3-cyclopropyl-2-methylpropanoate?
The canonical SMILES for methyl 2-(aminomethyl)-3-cyclopropyl-2-methylpropanoate is COC(=O)C(C)(CN)CC1CC1.
What is the InChIKey of methyl 2-(aminomethyl)-3-cyclopropyl-2-methylpropanoate?
The InChIKey is QRDZALWOLZMWBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-9(6-10,8(11)12-2)5-7-3-4-7/h7H,3-6,10H2,1-2H3.
What are the key properties of methyl 2-(aminomethyl)-3-cyclopropyl-2-methylpropanoate?
methyl 2-(aminomethyl)-3-cyclopropyl-2-methylpropanoate has a molecular weight of 171.24 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(aminomethyl)-3-cyclopropyl-2-methylpropanoate is sourced from PubChem (CID 106487865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).