cyclopropylmethyl 2-amino-6-methylbenzoate

C12H15NO2 — CID 61310985

IUPACcyclopropylmethyl 2-amino-6-methylbenzoate
SMILESCc1cccc(N)c1C(=O)OCC1CC1
InChIInChI=1S/C12H15NO2/c1-8-3-2-4-10(13)11(8)12(14)15-7-9-5-6-9/h2-4,9H,5-7,13H2,1H3
InChIKeyPJNWQKXTSCQHCH-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.14
Rot. Bonds3

About cyclopropylmethyl 2-amino-6-methylbenzoate

cyclopropylmethyl 2-amino-6-methylbenzoate (PubChem CID 61310985) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is cyclopropylmethyl 2-amino-6-methylbenzoate.

Molecular Properties

Compound Namecyclopropylmethyl 2-amino-6-methylbenzoate
PubChem CID61310985
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Namecyclopropylmethyl 2-amino-6-methylbenzoate
SMILESCc1cccc(N)c1C(=O)OCC1CC1
InChIInChI=1S/C12H15NO2/c1-8-3-2-4-10(13)11(8)12(14)15-7-9-5-6-9/h2-4,9H,5-7,13H2,1H3
InChIKeyPJNWQKXTSCQHCH-UHFFFAOYSA-N
XLogP2.14
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

cyclopentylmethyl 2-amino-6-methylbenzoate
CID 61343221
(5-methyloxolan-2-yl)methyl 2-amino-6-methylbenzoate
CID 103136986
cyclopentylmethyl 2-amino-6-chlorobenzoate
CID 63660959
[4-[(2-methylbenzoyl)oxymethyl]cyclohexyl]methyl 2-methylbenzoate
CID 18407926
[2-(cyclopropylamino)-2-oxoethyl] 2-amino-6-methylbenzoate
CID 61321740
cyclohexylmethyl 2-amino-6-ethoxybenzoate
CID 81414123
(2-methylphenyl)methyl 2-amino-6-methylbenzoate
CID 61321743
(4-methylphenyl)methyl 2-amino-6-methylbenzoate
CID 61321736
2-propan-2-yloxyethyl 2-amino-6-methylbenzoate
CID 61308511
2-amino-N-(cyclopropylmethyl)-N-ethyl-6-methylbenzamide
CID 63954074
4-methylpentyl 2-amino-6-methylbenzoate
CID 63446716
pyridin-4-ylmethyl 2-amino-6-methylbenzoate
CID 61323419

Frequently Asked Questions

What is the IUPAC name of cyclopropylmethyl 2-amino-6-methylbenzoate?
The IUPAC name of cyclopropylmethyl 2-amino-6-methylbenzoate (CID 61310985) is cyclopropylmethyl 2-amino-6-methylbenzoate.
What is the SMILES notation for cyclopropylmethyl 2-amino-6-methylbenzoate?
The canonical SMILES for cyclopropylmethyl 2-amino-6-methylbenzoate is Cc1cccc(N)c1C(=O)OCC1CC1.
What is the InChIKey of cyclopropylmethyl 2-amino-6-methylbenzoate?
The InChIKey is PJNWQKXTSCQHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-8-3-2-4-10(13)11(8)12(14)15-7-9-5-6-9/h2-4,9H,5-7,13H2,1H3.
What are the key properties of cyclopropylmethyl 2-amino-6-methylbenzoate?
cyclopropylmethyl 2-amino-6-methylbenzoate has a molecular weight of 205.26 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylmethyl 2-amino-6-methylbenzoate is sourced from PubChem (CID 61310985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).