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

Analyze methyl 2-benzamido-3-imidazolidin-4-ylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-3-benzamido-4-methoxy-4-oxobutanoic acid
CID 124500287
[(2R)-2-benzamido-3-methoxy-3-oxopropyl] benzoate
CID 86334795
methyl 2-benzamido-4-methylpent-4-enoate
CID 14493675
methyl (2S)-2-benzamido-3-phenylmethoxypropanoate
CID 10870709
methyl (2S)-2-benzamido-3-(trifluoromethylsulfonyl)propanoate
CID 101227983
methyl 2-benzamido-3-(5-methylthiophen-2-yl)propanoate
CID 139762755
methyl 2-[(4-fluorobenzoyl)amino]-3-phenylpropanoate
CID 531401
methyl (2S)-3-[(2-amino-2-oxoethyl)disulfanyl]-2-benzamidopropanoate
CID 132564669
methyl (2S,4S)-2,4,5-tribenzamidopentanoate
CID 14566783
methyl (2S)-2-benzamido-3-(2,6-dibromophenyl)propanoate
CID 162524147
methyl (2S)-2-benzamidopropanoate
CID 6364617
methyl (2R)-2-benzamido-3-(furan-2-yl)propanoate
CID 14460596

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).