(1-amino-1-oxopropan-2-yl) 2-aminobenzoate

C10H12N2O3 — CID 60625431

IUPAC(1-amino-1-oxopropan-2-yl) 2-aminobenzoate
SMILESCC(OC(=O)c1ccccc1N)C(N)=O
InChIInChI=1S/C10H12N2O3/c1-6(9(12)13)15-10(14)7-4-2-3-5-8(7)11/h2-6H,11H2,1H3,(H2,12,13)
InChIKeyMMUOZJVRLUEPOS-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.30
Rot. Bonds3

About (1-amino-1-oxopropan-2-yl) 2-aminobenzoate

(1-amino-1-oxopropan-2-yl) 2-aminobenzoate (PubChem CID 60625431) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is (1-amino-1-oxopropan-2-yl) 2-aminobenzoate.

Molecular Properties

Compound Name(1-amino-1-oxopropan-2-yl) 2-aminobenzoate
PubChem CID60625431
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name(1-amino-1-oxopropan-2-yl) 2-aminobenzoate
SMILESCC(OC(=O)c1ccccc1N)C(N)=O
InChIInChI=1S/C10H12N2O3/c1-6(9(12)13)15-10(14)7-4-2-3-5-8(7)11/h2-6H,11H2,1H3,(H2,12,13)
InChIKeyMMUOZJVRLUEPOS-UHFFFAOYSA-N
XLogP0.30
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-O-(1-amino-1-oxopropan-2-yl) 1-O-methyl benzene-1,2-dicarboxylate
CID 56504712
(1-amino-1-oxopropan-2-yl) 3-amino-2-ethoxybenzoate
CID 113386665
4-methylpentan-2-yl 2-aminobenzoate
CID 61278616
[(2S)-1-amino-1-oxopropan-2-yl] 2-phenoxybenzoate
CID 2498474
[(2R)-1-amino-1-oxopropan-2-yl] 2-ethoxybenzoate
CID 8606844
(1-oxo-1-piperidin-1-ylpropan-2-yl) 2-aminobenzoate
CID 61322981
[(2S)-1-amino-1-oxopropan-2-yl] 2-benzylbenzoate
CID 7382431
1-hydroxypropyl 2-aminobenzoate
CID 22287850
1-(diethylamino)ethyl 2-aminobenzoate
CID 174645415
[(2S)-1-amino-1-oxopropan-2-yl] 2-(2-phenylethyl)benzoate
CID 2118279
1,3-dihydroxypropan-2-yl 2-aminobenzoate
CID 67638206
bis(1-amino-1-oxopropan-2-yl) benzene-1,4-dicarboxylate
CID 24671569

Frequently Asked Questions

What is the IUPAC name of (1-amino-1-oxopropan-2-yl) 2-aminobenzoate?
The IUPAC name of (1-amino-1-oxopropan-2-yl) 2-aminobenzoate (CID 60625431) is (1-amino-1-oxopropan-2-yl) 2-aminobenzoate.
What is the SMILES notation for (1-amino-1-oxopropan-2-yl) 2-aminobenzoate?
The canonical SMILES for (1-amino-1-oxopropan-2-yl) 2-aminobenzoate is CC(OC(=O)c1ccccc1N)C(N)=O.
What is the InChIKey of (1-amino-1-oxopropan-2-yl) 2-aminobenzoate?
The InChIKey is MMUOZJVRLUEPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-6(9(12)13)15-10(14)7-4-2-3-5-8(7)11/h2-6H,11H2,1H3,(H2,12,13).
What are the key properties of (1-amino-1-oxopropan-2-yl) 2-aminobenzoate?
(1-amino-1-oxopropan-2-yl) 2-aminobenzoate has a molecular weight of 208.22 g/mol, XLogP of 0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-1-oxopropan-2-yl) 2-aminobenzoate is sourced from PubChem (CID 60625431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).