ethyl 2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoacetate

C13H15NO4 — CID 62365066

IUPACethyl 2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoacetate
SMILESCCOC(=O)C(=O)NC1CCOc2ccccc21
InChIInChI=1S/C13H15NO4/c1-2-17-13(16)12(15)14-10-7-8-18-11-6-4-3-5-9(10)11/h3-6,10H,2,7-8H2,1H3,(H,14,15)
InChIKeyIVOPHWLMSBPQDY-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.19
Rot. Bonds2

About ethyl 2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoacetate

ethyl 2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoacetate (PubChem CID 62365066) has the molecular formula C13H15NO4 and a molecular weight of 249.27 g/mol. Its IUPAC name is ethyl 2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoacetate
PubChem CID62365066
Molecular FormulaC13H15NO4
Molecular Weight249.27 g/mol
Exact Mass249.10
IUPAC Nameethyl 2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoacetate
SMILESCCOC(=O)C(=O)NC1CCOc2ccccc21
InChIInChI=1S/C13H15NO4/c1-2-17-13(16)12(15)14-10-7-8-18-11-6-4-3-5-9(10)11/h3-6,10H,2,7-8H2,1H3,(H,14,15)
InChIKeyIVOPHWLMSBPQDY-UHFFFAOYSA-N
XLogP1.19
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(3,4-dihydro-2H-chromen-4-yl)propanamide;hydrochloride
CID 119268905
N-(3,4-dihydro-2H-chromen-4-yl)-2-methylcyclopropane-1-carboxamide
CID 16559700
2-amino-N-(3,4-dihydro-2H-chromen-4-yl)pentanamide;hydrochloride
CID 119268919
1-(3,4-dihydro-2H-chromen-4-yl)-2-propylguanidine;hydroiodide
CID 75418867
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-ethylsulfonylbenzamide
CID 8819779
ethyl N-[1-[[amino-(3,4-dihydro-2H-chromen-4-ylamino)methylidene]amino]-4-methylpentan-2-yl]carbamate;hydroiodide
CID 111599175
N-(3,4-dihydro-2H-chromen-4-yl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 51083914
ethyl 4-(3,4-dihydro-2H-chromene-4-carbonylamino)piperidine-1-carboxylate
CID 110648883
1-tert-butyl-3-(3,4-dihydro-2H-chromen-4-yl)urea
CID 110750051
phenyl N-(3,4-dihydro-2H-chromen-4-yl)carbamate
CID 60655546
2-amino-N-(3,4-dihydro-2H-chromen-4-yl)cyclopentane-1-carboxamide
CID 64824525
1-(3,4-dihydro-2H-chromen-4-yl)-3-(2,6-dimethylphenyl)urea
CID 110866349

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoacetate?
The IUPAC name of ethyl 2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoacetate (CID 62365066) is ethyl 2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoacetate.
What is the SMILES notation for ethyl 2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoacetate?
The canonical SMILES for ethyl 2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoacetate is CCOC(=O)C(=O)NC1CCOc2ccccc21.
What is the InChIKey of ethyl 2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoacetate?
The InChIKey is IVOPHWLMSBPQDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4/c1-2-17-13(16)12(15)14-10-7-8-18-11-6-4-3-5-9(10)11/h3-6,10H,2,7-8H2,1H3,(H,14,15).
What are the key properties of ethyl 2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoacetate?
ethyl 2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoacetate has a molecular weight of 249.27 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoacetate is sourced from PubChem (CID 62365066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).