2-[[3-amino-4-(dimethylamino)benzoyl]amino]acetic acid

C11H15N3O3 — CID 110488287

IUPAC2-[[3-amino-4-(dimethylamino)benzoyl]amino]acetic acid
SMILESCN(C)c1ccc(C(=O)NCC(=O)O)cc1N
InChIInChI=1S/C11H15N3O3/c1-14(2)9-4-3-7(5-8(9)12)11(17)13-6-10(15)16/h3-5H,6,12H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyPVXFKHSFWAAYQO-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.15
Rot. Bonds4

About 2-[[3-amino-4-(dimethylamino)benzoyl]amino]acetic acid

2-[[3-amino-4-(dimethylamino)benzoyl]amino]acetic acid (PubChem CID 110488287) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-[[3-amino-4-(dimethylamino)benzoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[3-amino-4-(dimethylamino)benzoyl]amino]acetic acid
PubChem CID110488287
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name2-[[3-amino-4-(dimethylamino)benzoyl]amino]acetic acid
SMILESCN(C)c1ccc(C(=O)NCC(=O)O)cc1N
InChIInChI=1S/C11H15N3O3/c1-14(2)9-4-3-7(5-8(9)12)11(17)13-6-10(15)16/h3-5H,6,12H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyPVXFKHSFWAAYQO-UHFFFAOYSA-N
XLogP0.15
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-4-(dimethylamino)-N-(3-methylbut-2-enyl)benzamide
CID 106179724
3-amino-4-(dimethylamino)-N-(2-methoxyethyl)benzamide
CID 61090890
3-amino-4-(dimethylamino)-N-[(1-methylcyclopropyl)methyl]benzamide
CID 114098981
3-amino-4-(dimethylamino)-N-(3-methoxypropyl)benzamide
CID 61094954
3-amino-4-(dimethylamino)-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzamide
CID 61091598
3-amino-N-(cyclohexylmethyl)-4-(dimethylamino)benzamide
CID 61094001
3-amino-4-(dimethylamino)-N-phenylbenzamide;dihydrochloride
CID 50851045
3-amino-4-(dimethylamino)-N-[3-(methanesulfonamido)propyl]benzamide
CID 106332615
3-amino-4-(dimethylamino)-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzamide
CID 62842877
3-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-4-(dimethylamino)benzamide
CID 106233433
3-amino-N-(2-cyclopentylethyl)-4-(dimethylamino)benzamide
CID 61102345
3-amino-4-(dimethylamino)-N-[(3-methylcyclopentyl)methyl]benzamide
CID 107411021

Frequently Asked Questions

What is the IUPAC name of 2-[[3-amino-4-(dimethylamino)benzoyl]amino]acetic acid?
The IUPAC name of 2-[[3-amino-4-(dimethylamino)benzoyl]amino]acetic acid (CID 110488287) is 2-[[3-amino-4-(dimethylamino)benzoyl]amino]acetic acid.
What is the SMILES notation for 2-[[3-amino-4-(dimethylamino)benzoyl]amino]acetic acid?
The canonical SMILES for 2-[[3-amino-4-(dimethylamino)benzoyl]amino]acetic acid is CN(C)c1ccc(C(=O)NCC(=O)O)cc1N.
What is the InChIKey of 2-[[3-amino-4-(dimethylamino)benzoyl]amino]acetic acid?
The InChIKey is PVXFKHSFWAAYQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-14(2)9-4-3-7(5-8(9)12)11(17)13-6-10(15)16/h3-5H,6,12H2,1-2H3,(H,13,17)(H,15,16).
What are the key properties of 2-[[3-amino-4-(dimethylamino)benzoyl]amino]acetic acid?
2-[[3-amino-4-(dimethylamino)benzoyl]amino]acetic acid has a molecular weight of 237.26 g/mol, XLogP of 0.15, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-amino-4-(dimethylamino)benzoyl]amino]acetic acid is sourced from PubChem (CID 110488287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).