methyl 4-[[2-(cyclopentylamino)acetyl]amino]-3-methylbenzoate

C16H22N2O3 — CID 60849797

IUPACmethyl 4-[[2-(cyclopentylamino)acetyl]amino]-3-methylbenzoate
SMILESCOC(=O)c1ccc(NC(=O)CNC2CCCC2)c(C)c1
InChIInChI=1S/C16H22N2O3/c1-11-9-12(16(20)21-2)7-8-14(11)18-15(19)10-17-13-5-3-4-6-13/h7-9,13,17H,3-6,10H2,1-2H3,(H,18,19)
InChIKeyBPWLYFDKMRIVIR-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.25
Rot. Bonds5

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

methyl 4-[[2-(cyclopentylamino)acetyl]amino]-3-methylbenzoate (PubChem CID 60849797) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is methyl 4-[[2-(cyclopentylamino)acetyl]amino]-3-methylbenzoate.

Molecular Properties

Compound Namemethyl 4-[[2-(cyclopentylamino)acetyl]amino]-3-methylbenzoate
PubChem CID60849797
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Namemethyl 4-[[2-(cyclopentylamino)acetyl]amino]-3-methylbenzoate
SMILESCOC(=O)c1ccc(NC(=O)CNC2CCCC2)c(C)c1
InChIInChI=1S/C16H22N2O3/c1-11-9-12(16(20)21-2)7-8-14(11)18-15(19)10-17-13-5-3-4-6-13/h7-9,13,17H,3-6,10H2,1-2H3,(H,18,19)
InChIKeyBPWLYFDKMRIVIR-UHFFFAOYSA-N
XLogP2.25
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[[2-(cyclopentylamino)acetyl]amino]-4-fluorobenzoate
CID 60848172
methyl 4-(cyclopentylamino)-3-methylbenzoate
CID 43730521
methyl 4-(3-cyclohexylpropanoylamino)-3-methylbenzoate
CID 38091591
methyl 3-[[2-(cyclohexylamino)acetyl]amino]benzoate
CID 1133399
methyl 2-[[2-(cyclopentylamino)acetyl]amino]-5-fluorobenzoate
CID 60850707
methyl 4-(3-aminopropanoylamino)-3-methylbenzoate
CID 43712706
methyl 4-(3-bromopropanoylamino)-3-methylbenzoate
CID 13400011
methyl 4-(1-cyclopentylethylamino)-3-methylbenzoate
CID 63445570
methyl 3-methyl-4-(oxepan-4-ylamino)benzoate
CID 65081947
methyl 3-methyl-4-(thian-3-ylamino)benzoate
CID 62871262
methyl 4-(cyclohex-3-ene-1-carbonylamino)-3-methylbenzoate
CID 42941653
4-[[2-(cyclopentylamino)acetyl]amino]-3-fluorobenzoic acid
CID 63187706

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-(cyclopentylamino)acetyl]amino]-3-methylbenzoate?
The IUPAC name of methyl 4-[[2-(cyclopentylamino)acetyl]amino]-3-methylbenzoate (CID 60849797) is methyl 4-[[2-(cyclopentylamino)acetyl]amino]-3-methylbenzoate.
What is the SMILES notation for methyl 4-[[2-(cyclopentylamino)acetyl]amino]-3-methylbenzoate?
The canonical SMILES for methyl 4-[[2-(cyclopentylamino)acetyl]amino]-3-methylbenzoate is COC(=O)c1ccc(NC(=O)CNC2CCCC2)c(C)c1.
What is the InChIKey of methyl 4-[[2-(cyclopentylamino)acetyl]amino]-3-methylbenzoate?
The InChIKey is BPWLYFDKMRIVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-11-9-12(16(20)21-2)7-8-14(11)18-15(19)10-17-13-5-3-4-6-13/h7-9,13,17H,3-6,10H2,1-2H3,(H,18,19).
What are the key properties of methyl 4-[[2-(cyclopentylamino)acetyl]amino]-3-methylbenzoate?
methyl 4-[[2-(cyclopentylamino)acetyl]amino]-3-methylbenzoate has a molecular weight of 290.36 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-(cyclopentylamino)acetyl]amino]-3-methylbenzoate is sourced from PubChem (CID 60849797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).