3-[(ethylcarbamoylamino)methyl]benzoic acid

C11H14N2O3 — CID 60895497

IUPAC3-[(ethylcarbamoylamino)methyl]benzoic acid
SMILESCCNC(=O)NCc1cccc(C(=O)O)c1
InChIInChI=1S/C11H14N2O3/c1-2-12-11(16)13-7-8-4-3-5-9(6-8)10(14)15/h3-6H,2,7H2,1H3,(H,14,15)(H2,12,13,16)
InChIKeyMZKZHBCJRUPSLC-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.20
Rot. Bonds4

About 3-[(ethylcarbamoylamino)methyl]benzoic acid

3-[(ethylcarbamoylamino)methyl]benzoic acid (PubChem CID 60895497) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 3-[(ethylcarbamoylamino)methyl]benzoic acid.

Molecular Properties

Compound Name3-[(ethylcarbamoylamino)methyl]benzoic acid
PubChem CID60895497
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name3-[(ethylcarbamoylamino)methyl]benzoic acid
SMILESCCNC(=O)NCc1cccc(C(=O)O)c1
InChIInChI=1S/C11H14N2O3/c1-2-12-11(16)13-7-8-4-3-5-9(6-8)10(14)15/h3-6H,2,7H2,1H3,(H,14,15)(H2,12,13,16)
InChIKeyMZKZHBCJRUPSLC-UHFFFAOYSA-N
XLogP1.20
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(propylcarbamoylamino)methyl]benzoic acid
CID 60895496
1-[(3-carbamothioylphenyl)methyl]-3-ethylurea
CID 62311819
3-[(propanoylamino)methyl]benzoic acid
CID 20745849
3-[[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]methyl]benzoic acid
CID 61199140
3-[(butanoylamino)methyl]benzoic acid
CID 60895851
3-[(3,3,3-trifluoropropylcarbamoylamino)methyl]benzoic acid
CID 63228003
3-[[(3-amino-3-oxopropyl)carbamoylamino]methyl]benzoic acid
CID 61201704
3-(benzamidomethyl)benzoic acid;ethane
CID 90875099
3-[[(2-methylcyclopropyl)methylcarbamoylamino]methyl]benzoic acid
CID 113464047
3-[[(5-amino-5-oxopentyl)carbamoylamino]methyl]benzoic acid
CID 106238853
3-[[[2-(methylamino)acetyl]amino]methyl]benzoic acid
CID 61162466
3-[(pyridazin-3-ylmethylcarbamoylamino)methyl]benzoic acid
CID 106897201

Frequently Asked Questions

What is the IUPAC name of 3-[(ethylcarbamoylamino)methyl]benzoic acid?
The IUPAC name of 3-[(ethylcarbamoylamino)methyl]benzoic acid (CID 60895497) is 3-[(ethylcarbamoylamino)methyl]benzoic acid.
What is the SMILES notation for 3-[(ethylcarbamoylamino)methyl]benzoic acid?
The canonical SMILES for 3-[(ethylcarbamoylamino)methyl]benzoic acid is CCNC(=O)NCc1cccc(C(=O)O)c1.
What is the InChIKey of 3-[(ethylcarbamoylamino)methyl]benzoic acid?
The InChIKey is MZKZHBCJRUPSLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-2-12-11(16)13-7-8-4-3-5-9(6-8)10(14)15/h3-6H,2,7H2,1H3,(H,14,15)(H2,12,13,16).
What are the key properties of 3-[(ethylcarbamoylamino)methyl]benzoic acid?
3-[(ethylcarbamoylamino)methyl]benzoic acid has a molecular weight of 222.24 g/mol, XLogP of 1.20, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(ethylcarbamoylamino)methyl]benzoic acid is sourced from PubChem (CID 60895497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).