methyl 1-[amino-(4-tert-butylphenyl)methyl]cyclopropane-1-carboxylate

C16H23NO2 — CID 116944350

IUPACmethyl 1-[amino-(4-tert-butylphenyl)methyl]cyclopropane-1-carboxylate
SMILESCOC(=O)C1(C(N)c2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C16H23NO2/c1-15(2,3)12-7-5-11(6-8-12)13(17)16(9-10-16)14(18)19-4/h5-8,13H,9-10,17H2,1-4H3
InChIKeyGNYGKNTWMYSRDY-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.94
Rot. Bonds3

About methyl 1-[amino-(4-tert-butylphenyl)methyl]cyclopropane-1-carboxylate

methyl 1-[amino-(4-tert-butylphenyl)methyl]cyclopropane-1-carboxylate (PubChem CID 116944350) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is methyl 1-[amino-(4-tert-butylphenyl)methyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[amino-(4-tert-butylphenyl)methyl]cyclopropane-1-carboxylate
PubChem CID116944350
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Namemethyl 1-[amino-(4-tert-butylphenyl)methyl]cyclopropane-1-carboxylate
SMILESCOC(=O)C1(C(N)c2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C16H23NO2/c1-15(2,3)12-7-5-11(6-8-12)13(17)16(9-10-16)14(18)19-4/h5-8,13H,9-10,17H2,1-4H3
InChIKeyGNYGKNTWMYSRDY-UHFFFAOYSA-N
XLogP2.94
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-[amino-(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]cyclopropane-1-carboxylate
CID 116944414
methyl 1-[amino(1,3-benzodioxol-5-yl)methyl]cyclobutane-1-carboxylate
CID 116944302
(4-tert-butylphenyl)-[1-(methylaminomethyl)cyclopropyl]methanamine
CID 116943497
methyl 1-[amino(1-benzofuran-3-yl)methyl]cyclopropane-1-carboxylate
CID 116944424
2-amino-2-(4-tert-butylphenyl)-N-methylacetamide
CID 83535922
3-amino-3-(4-tert-butylphenyl)propanehydrazide
CID 116848720
methyl 1-[[3-(aminomethyl)-4-methoxyphenyl]-hydroxymethyl]cyclopropane-1-carboxylate
CID 59712443
methyl 2-[1-(4-tert-butylphenyl)ethylamino]butanoate
CID 115320207
methyl 2-(4-tert-butylphenyl)-2-piperidin-1-ylacetate
CID 102294238
methyl (2S)-2-(4-tert-butylphenyl)pentanoate
CID 93492943
methyl 1-propan-2-ylcyclopropane-1-carboxylate
CID 59734384
1-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]cyclopropane-1-carboxamide
CID 119792619

Frequently Asked Questions

What is the IUPAC name of methyl 1-[amino-(4-tert-butylphenyl)methyl]cyclopropane-1-carboxylate?
The IUPAC name of methyl 1-[amino-(4-tert-butylphenyl)methyl]cyclopropane-1-carboxylate (CID 116944350) is methyl 1-[amino-(4-tert-butylphenyl)methyl]cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-[amino-(4-tert-butylphenyl)methyl]cyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-[amino-(4-tert-butylphenyl)methyl]cyclopropane-1-carboxylate is COC(=O)C1(C(N)c2ccc(C(C)(C)C)cc2)CC1.
What is the InChIKey of methyl 1-[amino-(4-tert-butylphenyl)methyl]cyclopropane-1-carboxylate?
The InChIKey is GNYGKNTWMYSRDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-15(2,3)12-7-5-11(6-8-12)13(17)16(9-10-16)14(18)19-4/h5-8,13H,9-10,17H2,1-4H3.
What are the key properties of methyl 1-[amino-(4-tert-butylphenyl)methyl]cyclopropane-1-carboxylate?
methyl 1-[amino-(4-tert-butylphenyl)methyl]cyclopropane-1-carboxylate has a molecular weight of 261.37 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[amino-(4-tert-butylphenyl)methyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 116944350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).