methyl 2-benzamido-3-imidazolidin-4-ylpropanoate

C14H19N3O3 — CID 170906234

IUPACmethyl 2-benzamido-3-imidazolidin-4-ylpropanoate
SMILESCOC(=O)C(CC1CNCN1)NC(=O)c1ccccc1
InChIInChI=1S/C14H19N3O3/c1-20-14(19)12(7-11-8-15-9-16-11)17-13(18)10-5-3-2-4-6-10/h2-6,11-12,15-16H,7-9H2,1H3,(H,17,18)
InChIKeyHOKHNAZGCBNRKG-UHFFFAOYSA-N
MW277.32 g/mol
LogP-0.13
Rot. Bonds5

About methyl 2-benzamido-3-imidazolidin-4-ylpropanoate

methyl 2-benzamido-3-imidazolidin-4-ylpropanoate (PubChem CID 170906234) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is methyl 2-benzamido-3-imidazolidin-4-ylpropanoate.

Molecular Properties

Compound Namemethyl 2-benzamido-3-imidazolidin-4-ylpropanoate
PubChem CID170906234
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Namemethyl 2-benzamido-3-imidazolidin-4-ylpropanoate
SMILESCOC(=O)C(CC1CNCN1)NC(=O)c1ccccc1
InChIInChI=1S/C14H19N3O3/c1-20-14(19)12(7-11-8-15-9-16-11)17-13(18)10-5-3-2-4-6-10/h2-6,11-12,15-16H,7-9H2,1H3,(H,17,18)
InChIKeyHOKHNAZGCBNRKG-UHFFFAOYSA-N
XLogP-0.13
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-benzamido-3-imidazolidin-4-ylpropanoate?
The IUPAC name of methyl 2-benzamido-3-imidazolidin-4-ylpropanoate (CID 170906234) is methyl 2-benzamido-3-imidazolidin-4-ylpropanoate.
What is the SMILES notation for methyl 2-benzamido-3-imidazolidin-4-ylpropanoate?
The canonical SMILES for methyl 2-benzamido-3-imidazolidin-4-ylpropanoate is COC(=O)C(CC1CNCN1)NC(=O)c1ccccc1.
What is the InChIKey of methyl 2-benzamido-3-imidazolidin-4-ylpropanoate?
The InChIKey is HOKHNAZGCBNRKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-20-14(19)12(7-11-8-15-9-16-11)17-13(18)10-5-3-2-4-6-10/h2-6,11-12,15-16H,7-9H2,1H3,(H,17,18).
What are the key properties of methyl 2-benzamido-3-imidazolidin-4-ylpropanoate?
methyl 2-benzamido-3-imidazolidin-4-ylpropanoate has a molecular weight of 277.32 g/mol, XLogP of -0.13, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-benzamido-3-imidazolidin-4-ylpropanoate is sourced from PubChem (CID 170906234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).