methyl 2-[[2-(cyclopropylcarbamoylamino)acetyl]amino]benzoate

C14H17N3O4 — CID 112999833

IUPACmethyl 2-[[2-(cyclopropylcarbamoylamino)acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)CNC(=O)NC1CC1
InChIInChI=1S/C14H17N3O4/c1-21-13(19)10-4-2-3-5-11(10)17-12(18)8-15-14(20)16-9-6-7-9/h2-5,9H,6-8H2,1H3,(H,17,18)(H2,15,16,20)
InChIKeyOGFMDAXPBWJFGK-UHFFFAOYSA-N
MW291.31 g/mol
LogP0.87
Rot. Bonds5

About methyl 2-[[2-(cyclopropylcarbamoylamino)acetyl]amino]benzoate

methyl 2-[[2-(cyclopropylcarbamoylamino)acetyl]amino]benzoate (PubChem CID 112999833) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is methyl 2-[[2-(cyclopropylcarbamoylamino)acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-(cyclopropylcarbamoylamino)acetyl]amino]benzoate
PubChem CID112999833
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC Namemethyl 2-[[2-(cyclopropylcarbamoylamino)acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)CNC(=O)NC1CC1
InChIInChI=1S/C14H17N3O4/c1-21-13(19)10-4-2-3-5-11(10)17-12(18)8-15-14(20)16-9-6-7-9/h2-5,9H,6-8H2,1H3,(H,17,18)(H2,15,16,20)
InChIKeyOGFMDAXPBWJFGK-UHFFFAOYSA-N
XLogP0.87
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[[2-(cyclohexylcarbamoylamino)acetyl]amino]benzoate
CID 113001757
methyl 2-[[3-(cyclohexylamino)-3-oxopropanoyl]amino]benzoate
CID 108942633
2-(cyclopropylcarbamoylamino)-N-(2-phenoxyphenyl)acetamide
CID 113000974
methyl 2-[(1-ethylpiperidin-4-yl)carbamoylamino]benzoate
CID 6465197
2-(cyclohexylcarbamoylamino)-N-(2-ethoxyphenyl)acetamide
CID 112998805
methyl 2-[[2-[(2-bromobenzoyl)amino]acetyl]amino]benzoate
CID 112999796
ethyl 2-(cyclopentylcarbamoylamino)benzoate
CID 110755189
methyl 2-(cyclopropylamino)benzoate
CID 83697867
methyl 2-[[2-(propan-2-ylamino)acetyl]amino]benzoate
CID 60640943
methyl 2-[[2-[(4-fluorobenzoyl)amino]acetyl]amino]benzoate
CID 4999273
ethyl 2-(cycloheptylcarbamoylamino)benzoate
CID 108990696
2-(cyclohexylcarbamoylamino)-N-(2,3-dimethylphenyl)acetamide
CID 51179268

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(cyclopropylcarbamoylamino)acetyl]amino]benzoate?
The IUPAC name of methyl 2-[[2-(cyclopropylcarbamoylamino)acetyl]amino]benzoate (CID 112999833) is methyl 2-[[2-(cyclopropylcarbamoylamino)acetyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[2-(cyclopropylcarbamoylamino)acetyl]amino]benzoate?
The canonical SMILES for methyl 2-[[2-(cyclopropylcarbamoylamino)acetyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)CNC(=O)NC1CC1.
What is the InChIKey of methyl 2-[[2-(cyclopropylcarbamoylamino)acetyl]amino]benzoate?
The InChIKey is OGFMDAXPBWJFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4/c1-21-13(19)10-4-2-3-5-11(10)17-12(18)8-15-14(20)16-9-6-7-9/h2-5,9H,6-8H2,1H3,(H,17,18)(H2,15,16,20).
What are the key properties of methyl 2-[[2-(cyclopropylcarbamoylamino)acetyl]amino]benzoate?
methyl 2-[[2-(cyclopropylcarbamoylamino)acetyl]amino]benzoate has a molecular weight of 291.31 g/mol, XLogP of 0.87, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(cyclopropylcarbamoylamino)acetyl]amino]benzoate is sourced from PubChem (CID 112999833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).