methyl 2-(aminomethyl)-5-(carbamoylamino)benzoate

C10H13N3O3 — CID 150541045

IUPACmethyl 2-(aminomethyl)-5-(carbamoylamino)benzoate
SMILESCOC(=O)c1cc(NC(N)=O)ccc1CN
InChIInChI=1S/C10H13N3O3/c1-16-9(14)8-4-7(13-10(12)15)3-2-6(8)5-11/h2-4H,5,11H2,1H3,(H3,12,13,15)
InChIKeyIFWLJUOAYCVYHR-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.42
Rot. Bonds3

About methyl 2-(aminomethyl)-5-(carbamoylamino)benzoate

methyl 2-(aminomethyl)-5-(carbamoylamino)benzoate (PubChem CID 150541045) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is methyl 2-(aminomethyl)-5-(carbamoylamino)benzoate.

Molecular Properties

Compound Namemethyl 2-(aminomethyl)-5-(carbamoylamino)benzoate
PubChem CID150541045
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Namemethyl 2-(aminomethyl)-5-(carbamoylamino)benzoate
SMILESCOC(=O)c1cc(NC(N)=O)ccc1CN
InChIInChI=1S/C10H13N3O3/c1-16-9(14)8-4-7(13-10(12)15)3-2-6(8)5-11/h2-4H,5,11H2,1H3,(H3,12,13,15)
InChIKeyIFWLJUOAYCVYHR-UHFFFAOYSA-N
XLogP0.42
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze methyl 2-(aminomethyl)-5-(carbamoylamino)benzoate 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

methyl 2-(aminomethyl)-5-bromobenzoate
CID 44828923
methyl 2-(aminomethyl)-5-iodobenzoate
CID 44828946
methyl 2-(aminomethyl)-5-bromobenzoate;hydrochloride
CID 86280419
methyl 5-acetamido-2-(2-methoxy-2-oxoethyl)benzoate
CID 23364011
(3,4-dimethoxyphenyl)urea
CID 21197430
methyl 3-(carbamoylamino)benzoate
CID 2822841
(3-methoxycarbonyl-4-methylphenyl)carbamic acid
CID 175178489
4-(carbamoylamino)-2-methoxybenzoic acid
CID 107208856
methyl 4-(aminomethyl)naphthalene-1-carboxylate;hydrochloride
CID 67187321
N-[4-acetyl-3-(aminomethyl)phenyl]acetamide
CID 150539337
methyl 2-bromo-5-hydrazinylbenzoate
CID 130053361
methyl 2-(2-aminoethyl)-5-iodobenzoate
CID 44828945

Frequently Asked Questions

What is the IUPAC name of methyl 2-(aminomethyl)-5-(carbamoylamino)benzoate?
The IUPAC name of methyl 2-(aminomethyl)-5-(carbamoylamino)benzoate (CID 150541045) is methyl 2-(aminomethyl)-5-(carbamoylamino)benzoate.
What is the SMILES notation for methyl 2-(aminomethyl)-5-(carbamoylamino)benzoate?
The canonical SMILES for methyl 2-(aminomethyl)-5-(carbamoylamino)benzoate is COC(=O)c1cc(NC(N)=O)ccc1CN.
What is the InChIKey of methyl 2-(aminomethyl)-5-(carbamoylamino)benzoate?
The InChIKey is IFWLJUOAYCVYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-16-9(14)8-4-7(13-10(12)15)3-2-6(8)5-11/h2-4H,5,11H2,1H3,(H3,12,13,15).
What are the key properties of methyl 2-(aminomethyl)-5-(carbamoylamino)benzoate?
methyl 2-(aminomethyl)-5-(carbamoylamino)benzoate has a molecular weight of 223.23 g/mol, XLogP of 0.42, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(aminomethyl)-5-(carbamoylamino)benzoate is sourced from PubChem (CID 150541045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).