methyl 4-[(2-amino-2-cyclopropylpropanoyl)amino]-3-methylbenzoate

C15H20N2O3 — CID 60867367

IUPACmethyl 4-[(2-amino-2-cyclopropylpropanoyl)amino]-3-methylbenzoate
SMILESCOC(=O)c1ccc(NC(=O)C(C)(N)C2CC2)c(C)c1
InChIInChI=1S/C15H20N2O3/c1-9-8-10(13(18)20-3)4-7-12(9)17-14(19)15(2,16)11-5-6-11/h4,7-8,11H,5-6,16H2,1-3H3,(H,17,19)
InChIKeyYWWXIEQYZCJJFM-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.85
Rot. Bonds4

About methyl 4-[(2-amino-2-cyclopropylpropanoyl)amino]-3-methylbenzoate

methyl 4-[(2-amino-2-cyclopropylpropanoyl)amino]-3-methylbenzoate (PubChem CID 60867367) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is methyl 4-[(2-amino-2-cyclopropylpropanoyl)amino]-3-methylbenzoate.

Molecular Properties

Compound Namemethyl 4-[(2-amino-2-cyclopropylpropanoyl)amino]-3-methylbenzoate
PubChem CID60867367
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Namemethyl 4-[(2-amino-2-cyclopropylpropanoyl)amino]-3-methylbenzoate
SMILESCOC(=O)c1ccc(NC(=O)C(C)(N)C2CC2)c(C)c1
InChIInChI=1S/C15H20N2O3/c1-9-8-10(13(18)20-3)4-7-12(9)17-14(19)15(2,16)11-5-6-11/h4,7-8,11H,5-6,16H2,1-3H3,(H,17,19)
InChIKeyYWWXIEQYZCJJFM-UHFFFAOYSA-N
XLogP1.85
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-cyclopropyl-N-(2,4-dimethylphenyl)propanamide
CID 60868406
2-amino-N-(4-bromo-2-methylphenyl)-2-cyclopropylpropanamide
CID 60866775
methyl 4-(3-cyclohexylpropanoylamino)-3-methylbenzoate
CID 38091591
2-amino-2-cyclopropyl-N-(2,3-dimethylphenyl)propanamide
CID 54924935
ethyl 4-(2,2-dimethylpropanoylamino)-3-methylbenzoate
CID 99771150
methyl 4-(cyclopentylamino)-3-methylbenzoate
CID 43730521
methyl 4-[[2-(cyclopentylamino)acetyl]amino]-3-methylbenzoate
CID 60849797
methyl 4-(3-aminopropanoylamino)-3-methylbenzoate
CID 43712706
methyl 4-(ethylamino)-3-methylbenzoate
CID 43730612
methyl 4-(cyclohex-3-ene-1-carbonylamino)-3-methylbenzoate
CID 42941653
methyl 4-[[3-(2,4-dimethylanilino)-2,2-dimethyl-3-oxopropanoyl]amino]benzoate
CID 108967835
2-amino-2-cyclopropyl-N-[2-(methoxymethyl)phenyl]propanamide
CID 54924986

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2-amino-2-cyclopropylpropanoyl)amino]-3-methylbenzoate?
The IUPAC name of methyl 4-[(2-amino-2-cyclopropylpropanoyl)amino]-3-methylbenzoate (CID 60867367) is methyl 4-[(2-amino-2-cyclopropylpropanoyl)amino]-3-methylbenzoate.
What is the SMILES notation for methyl 4-[(2-amino-2-cyclopropylpropanoyl)amino]-3-methylbenzoate?
The canonical SMILES for methyl 4-[(2-amino-2-cyclopropylpropanoyl)amino]-3-methylbenzoate is COC(=O)c1ccc(NC(=O)C(C)(N)C2CC2)c(C)c1.
What is the InChIKey of methyl 4-[(2-amino-2-cyclopropylpropanoyl)amino]-3-methylbenzoate?
The InChIKey is YWWXIEQYZCJJFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-9-8-10(13(18)20-3)4-7-12(9)17-14(19)15(2,16)11-5-6-11/h4,7-8,11H,5-6,16H2,1-3H3,(H,17,19).
What are the key properties of methyl 4-[(2-amino-2-cyclopropylpropanoyl)amino]-3-methylbenzoate?
methyl 4-[(2-amino-2-cyclopropylpropanoyl)amino]-3-methylbenzoate has a molecular weight of 276.34 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2-amino-2-cyclopropylpropanoyl)amino]-3-methylbenzoate is sourced from PubChem (CID 60867367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).