methyl 2-[[4-(pentanoylamino)benzoyl]amino]acetate

C15H20N2O4 — CID 2211986

IUPACmethyl 2-[[4-(pentanoylamino)benzoyl]amino]acetate
SMILESCCCCC(=O)Nc1ccc(C(=O)NCC(=O)OC)cc1
InChIInChI=1S/C15H20N2O4/c1-3-4-5-13(18)17-12-8-6-11(7-9-12)15(20)16-10-14(19)21-2/h6-9H,3-5,10H2,1-2H3,(H,16,20)(H,17,18)
InChIKeyBKTHTDWUJRHQHT-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.72
Rot. Bonds7

About methyl 2-[[4-(pentanoylamino)benzoyl]amino]acetate

methyl 2-[[4-(pentanoylamino)benzoyl]amino]acetate (PubChem CID 2211986) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is methyl 2-[[4-(pentanoylamino)benzoyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[4-(pentanoylamino)benzoyl]amino]acetate
PubChem CID2211986
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Namemethyl 2-[[4-(pentanoylamino)benzoyl]amino]acetate
SMILESCCCCC(=O)Nc1ccc(C(=O)NCC(=O)OC)cc1
InChIInChI=1S/C15H20N2O4/c1-3-4-5-13(18)17-12-8-6-11(7-9-12)15(20)16-10-14(19)21-2/h6-9H,3-5,10H2,1-2H3,(H,16,20)(H,17,18)
InChIKeyBKTHTDWUJRHQHT-UHFFFAOYSA-N
XLogP1.72
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-(pentanoylamino)benzoyl]amino]acetate?
The IUPAC name of methyl 2-[[4-(pentanoylamino)benzoyl]amino]acetate (CID 2211986) is methyl 2-[[4-(pentanoylamino)benzoyl]amino]acetate.
What is the SMILES notation for methyl 2-[[4-(pentanoylamino)benzoyl]amino]acetate?
The canonical SMILES for methyl 2-[[4-(pentanoylamino)benzoyl]amino]acetate is CCCCC(=O)Nc1ccc(C(=O)NCC(=O)OC)cc1.
What is the InChIKey of methyl 2-[[4-(pentanoylamino)benzoyl]amino]acetate?
The InChIKey is BKTHTDWUJRHQHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-3-4-5-13(18)17-12-8-6-11(7-9-12)15(20)16-10-14(19)21-2/h6-9H,3-5,10H2,1-2H3,(H,16,20)(H,17,18).
What are the key properties of methyl 2-[[4-(pentanoylamino)benzoyl]amino]acetate?
methyl 2-[[4-(pentanoylamino)benzoyl]amino]acetate has a molecular weight of 292.34 g/mol, XLogP of 1.72, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-(pentanoylamino)benzoyl]amino]acetate is sourced from PubChem (CID 2211986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).