carbamoyl 4-amino-2-methylbenzoate

C9H10N2O3 — CID 88539769

IUPACcarbamoyl 4-amino-2-methylbenzoate
SMILESCc1cc(N)ccc1C(=O)OC(N)=O
InChIInChI=1S/C9H10N2O3/c1-5-4-6(10)2-3-7(5)8(12)14-9(11)13/h2-4H,10H2,1H3,(H2,11,13)
InChIKeySUJYPRBTYHYASX-UHFFFAOYSA-N
MW194.19 g/mol
LogP0.81
Rot. Bonds1

About carbamoyl 4-amino-2-methylbenzoate

carbamoyl 4-amino-2-methylbenzoate (PubChem CID 88539769) has the molecular formula C9H10N2O3 and a molecular weight of 194.19 g/mol. Its IUPAC name is carbamoyl 4-amino-2-methylbenzoate.

Molecular Properties

Compound Namecarbamoyl 4-amino-2-methylbenzoate
PubChem CID88539769
Molecular FormulaC9H10N2O3
Molecular Weight194.19 g/mol
Exact Mass194.07
IUPAC Namecarbamoyl 4-amino-2-methylbenzoate
SMILESCc1cc(N)ccc1C(=O)OC(N)=O
InChIInChI=1S/C9H10N2O3/c1-5-4-6(10)2-3-7(5)8(12)14-9(11)13/h2-4H,10H2,1H3,(H2,11,13)
InChIKeySUJYPRBTYHYASX-UHFFFAOYSA-N
XLogP0.81
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

carbamoyl 4-amino-2-fluorobenzoate
CID 88539668
butyl 4-amino-2-methylbenzoate
CID 45089758
(4-amino-2-methylphenyl)-(2,4-diaminophenyl)methanone
CID 163468215
(2,6-dichlorophenyl)methyl 4-amino-2-methylbenzoate
CID 63450771
3-(2-methoxyethoxy)propyl 4-amino-2-methylbenzoate
CID 103403389
(3,4-dichlorophenyl)methyl 4-amino-2-methylbenzoate
CID 63450120
4-amino-N-[2-(carbamoylamino)ethyl]-2-methylbenzamide
CID 83108050
2-(4-amino-2-methylphenyl)benzene-1,4-dicarboxamide
CID 174919262
(2-methyl-1,3-thiazol-4-yl)methyl 4-amino-2-methylbenzoate
CID 64982506
4-amino-N-(2-methoxypropyl)-2-methylbenzamide
CID 102694270
(3-chloro-4-fluorophenyl)methyl 4-amino-2-methylbenzoate
CID 103040758
(4-amino-2-methylphenyl)-(azetidin-1-yl)methanone
CID 130546505

Frequently Asked Questions

What is the IUPAC name of carbamoyl 4-amino-2-methylbenzoate?
The IUPAC name of carbamoyl 4-amino-2-methylbenzoate (CID 88539769) is carbamoyl 4-amino-2-methylbenzoate.
What is the SMILES notation for carbamoyl 4-amino-2-methylbenzoate?
The canonical SMILES for carbamoyl 4-amino-2-methylbenzoate is Cc1cc(N)ccc1C(=O)OC(N)=O.
What is the InChIKey of carbamoyl 4-amino-2-methylbenzoate?
The InChIKey is SUJYPRBTYHYASX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3/c1-5-4-6(10)2-3-7(5)8(12)14-9(11)13/h2-4H,10H2,1H3,(H2,11,13).
What are the key properties of carbamoyl 4-amino-2-methylbenzoate?
carbamoyl 4-amino-2-methylbenzoate has a molecular weight of 194.19 g/mol, XLogP of 0.81, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbamoyl 4-amino-2-methylbenzoate is sourced from PubChem (CID 88539769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).