ethyl 2-(N-aminoanilino)propanoate

C11H16N2O2 — CID 6422914

IUPACethyl 2-(N-aminoanilino)propanoate
SMILESCCOC(=O)C(C)N(N)c1ccccc1
InChIInChI=1S/C11H16N2O2/c1-3-15-11(14)9(2)13(12)10-7-5-4-6-8-10/h4-9H,3,12H2,1-2H3
InChIKeyHSVCXTTUYNZELK-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.32
Rot. Bonds4

About ethyl 2-(N-aminoanilino)propanoate

ethyl 2-(N-aminoanilino)propanoate (PubChem CID 6422914) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is ethyl 2-(N-aminoanilino)propanoate.

Molecular Properties

Compound Nameethyl 2-(N-aminoanilino)propanoate
PubChem CID6422914
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Nameethyl 2-(N-aminoanilino)propanoate
SMILESCCOC(=O)C(C)N(N)c1ccccc1
InChIInChI=1S/C11H16N2O2/c1-3-15-11(14)9(2)13(12)10-7-5-4-6-8-10/h4-9H,3,12H2,1-2H3
InChIKeyHSVCXTTUYNZELK-UHFFFAOYSA-N
XLogP1.32
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Ethanol, 2,2'-(phenylimino)bis-, 1,1'-diacetate
CID 29521
N-Phenylglycine ethyl ester
CID 75190
Ethyl 2-(phenylamino)propanoate
CID 296040
2-Phenylamino-malonic acid diethyl ester
CID 299984
Ethanol, 2-(ethylphenylamino)-, 1-acetate
CID 113382
Methyl 2-(phenylamino)acetate
CID 571509
N-Cyanoethyl-N-acetoxyethylaniline
CID 89163
Ethyl 2-(4-fluoroanilino)acetate
CID 711751
1-Piperazineacetic acid, 4-phenyl-, ethyl ester
CID 3044259
Glycine, N-nitroso-N-phenyl-
CID 3767411
Ethyl 2-(4-iodoanilino)acetate
CID 689360
N-(methoxycarbonylmethyl)-N-phenylglycine methyl ester
CID 5323791

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(N-aminoanilino)propanoate?
The IUPAC name of ethyl 2-(N-aminoanilino)propanoate (CID 6422914) is ethyl 2-(N-aminoanilino)propanoate.
What is the SMILES notation for ethyl 2-(N-aminoanilino)propanoate?
The canonical SMILES for ethyl 2-(N-aminoanilino)propanoate is CCOC(=O)C(C)N(N)c1ccccc1.
What is the InChIKey of ethyl 2-(N-aminoanilino)propanoate?
The InChIKey is HSVCXTTUYNZELK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-3-15-11(14)9(2)13(12)10-7-5-4-6-8-10/h4-9H,3,12H2,1-2H3.
What are the key properties of ethyl 2-(N-aminoanilino)propanoate?
ethyl 2-(N-aminoanilino)propanoate has a molecular weight of 208.26 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(N-aminoanilino)propanoate is sourced from PubChem (CID 6422914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).