3-(2-aminoanilino)-2-oxopropanoate

C9H9N2O3- — CID 102515201

IUPAC3-(2-aminoanilino)-2-oxopropanoate
SMILESNc1ccccc1NCC(=O)C(=O)[O-]
InChIInChI=1S/C9H10N2O3/c10-6-3-1-2-4-7(6)11-5-8(12)9(13)14/h1-4,11H,5,10H2,(H,13,14)/p-1
InChIKeyPMZXRQOQGVQMFD-UHFFFAOYSA-M
MW193.18 g/mol
LogP-1.00
Rot. Bonds4

About 3-(2-aminoanilino)-2-oxopropanoate

3-(2-aminoanilino)-2-oxopropanoate (PubChem CID 102515201) has the molecular formula C9H9N2O3- and a molecular weight of 193.18 g/mol. Its IUPAC name is 3-(2-aminoanilino)-2-oxopropanoate.

Molecular Properties

Compound Name3-(2-aminoanilino)-2-oxopropanoate
PubChem CID102515201
Molecular FormulaC9H9N2O3-
Molecular Weight193.18 g/mol
Exact Mass193.06
IUPAC Name3-(2-aminoanilino)-2-oxopropanoate
SMILESNc1ccccc1NCC(=O)C(=O)[O-]
InChIInChI=1S/C9H10N2O3/c10-6-3-1-2-4-7(6)11-5-8(12)9(13)14/h1-4,11H,5,10H2,(H,13,14)/p-1
InChIKeyPMZXRQOQGVQMFD-UHFFFAOYSA-M
XLogP-1.00
TPSA95.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.18
LogP ≤ 5-1.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2-aminoanilino)butan-2-one
CID 58535074
2-(2-aminoanilino)-N,N-dimethylacetamide
CID 43310935
2-(2-aminoanilino)-N-ethylacetamide
CID 43566808
2-[[2-(2-aminoanilino)-2-oxoethyl]amino]-N-(2-aminophenyl)acetamide
CID 102158017
N-(2-aminophenyl)-1-phosphanylformamide;ethane
CID 90955856
2-(2-aminoanilino)ethanethiol
CID 10773435
N-(2-aminophenyl)-2-bromoacetamide
CID 89401895
2-(2-aminoanilino)-2-oxoethanesulfinic acid
CID 175416485
2-N-(3-methylbut-2-enyl)benzene-1,2-diamine
CID 106182311
[4-[(2-aminoanilino)methyl]phenyl]methanol
CID 107231520
ethane;2-N-propylbenzene-1,2-diamine
CID 91196578
benzyl 3-(2-aminoanilino)propanoate
CID 134162303

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoanilino)-2-oxopropanoate?
The IUPAC name of 3-(2-aminoanilino)-2-oxopropanoate (CID 102515201) is 3-(2-aminoanilino)-2-oxopropanoate.
What is the SMILES notation for 3-(2-aminoanilino)-2-oxopropanoate?
The canonical SMILES for 3-(2-aminoanilino)-2-oxopropanoate is Nc1ccccc1NCC(=O)C(=O)[O-].
What is the InChIKey of 3-(2-aminoanilino)-2-oxopropanoate?
The InChIKey is PMZXRQOQGVQMFD-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H10N2O3/c10-6-3-1-2-4-7(6)11-5-8(12)9(13)14/h1-4,11H,5,10H2,(H,13,14)/p-1.
What are the key properties of 3-(2-aminoanilino)-2-oxopropanoate?
3-(2-aminoanilino)-2-oxopropanoate has a molecular weight of 193.18 g/mol, XLogP of -1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoanilino)-2-oxopropanoate is sourced from PubChem (CID 102515201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).