[2-(cyclopropylmethylamino)-2-oxoethyl] 2-amino-5-methylbenzoate

C14H18N2O3 — CID 60768796

IUPAC[2-(cyclopropylmethylamino)-2-oxoethyl] 2-amino-5-methylbenzoate
SMILESCc1ccc(N)c(C(=O)OCC(=O)NCC2CC2)c1
InChIInChI=1S/C14H18N2O3/c1-9-2-5-12(15)11(6-9)14(18)19-8-13(17)16-7-10-3-4-10/h2,5-6,10H,3-4,7-8,15H2,1H3,(H,16,17)
InChIKeyHBFSLPCDZISJQP-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.26
Rot. Bonds5

About [2-(cyclopropylmethylamino)-2-oxoethyl] 2-amino-5-methylbenzoate

[2-(cyclopropylmethylamino)-2-oxoethyl] 2-amino-5-methylbenzoate (PubChem CID 60768796) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is [2-(cyclopropylmethylamino)-2-oxoethyl] 2-amino-5-methylbenzoate.

Molecular Properties

Compound Name[2-(cyclopropylmethylamino)-2-oxoethyl] 2-amino-5-methylbenzoate
PubChem CID60768796
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name[2-(cyclopropylmethylamino)-2-oxoethyl] 2-amino-5-methylbenzoate
SMILESCc1ccc(N)c(C(=O)OCC(=O)NCC2CC2)c1
InChIInChI=1S/C14H18N2O3/c1-9-2-5-12(15)11(6-9)14(18)19-8-13(17)16-7-10-3-4-10/h2,5-6,10H,3-4,7-8,15H2,1H3,(H,16,17)
InChIKeyHBFSLPCDZISJQP-UHFFFAOYSA-N
XLogP1.26
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-(cyclopropylmethylamino)-2-oxoethyl] 5-amino-2,4-dimethylbenzoate
CID 102706148
[2-(cyclopentylamino)-2-oxoethyl] 2-amino-5-methylbenzoate
CID 60768674
[2-(cyclopropylmethylamino)-2-oxoethyl] 5-amino-2-methoxybenzoate
CID 61321763
2-amino-5-methyl-N-(oxan-4-ylmethyl)benzamide
CID 63707297
[2-(dimethylamino)-2-oxoethyl] 2-amino-5-methylbenzoate
CID 60768625
1-(2-amino-5-methylphenyl)-2-cyclopropylethanone
CID 116581446
[2-(cyclopropylmethylamino)-2-oxoethyl] 2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxylate
CID 71896912
2-(3-amino-2,6-dimethylphenoxy)-N-(cyclopropylmethyl)acetamide
CID 62019069
[2-(4-methylpiperazin-1-yl)-2-oxoethyl] 2-amino-5-methylbenzoate
CID 65456589
[2-(2,4-dimethylanilino)-2-oxoethyl] 2-amino-5-bromobenzoate
CID 7149349
N-(cyclopropylmethyl)-2-(4-methyl-2-sulfamoylphenoxy)acetamide
CID 82921293
2-(2-bromo-4-methylphenoxy)-N-[(4-hydroxycyclohexyl)methyl]acetamide
CID 106123697

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylmethylamino)-2-oxoethyl] 2-amino-5-methylbenzoate?
The IUPAC name of [2-(cyclopropylmethylamino)-2-oxoethyl] 2-amino-5-methylbenzoate (CID 60768796) is [2-(cyclopropylmethylamino)-2-oxoethyl] 2-amino-5-methylbenzoate.
What is the SMILES notation for [2-(cyclopropylmethylamino)-2-oxoethyl] 2-amino-5-methylbenzoate?
The canonical SMILES for [2-(cyclopropylmethylamino)-2-oxoethyl] 2-amino-5-methylbenzoate is Cc1ccc(N)c(C(=O)OCC(=O)NCC2CC2)c1.
What is the InChIKey of [2-(cyclopropylmethylamino)-2-oxoethyl] 2-amino-5-methylbenzoate?
The InChIKey is HBFSLPCDZISJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-9-2-5-12(15)11(6-9)14(18)19-8-13(17)16-7-10-3-4-10/h2,5-6,10H,3-4,7-8,15H2,1H3,(H,16,17).
What are the key properties of [2-(cyclopropylmethylamino)-2-oxoethyl] 2-amino-5-methylbenzoate?
[2-(cyclopropylmethylamino)-2-oxoethyl] 2-amino-5-methylbenzoate has a molecular weight of 262.31 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylmethylamino)-2-oxoethyl] 2-amino-5-methylbenzoate is sourced from PubChem (CID 60768796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).