ethyl 2-(indolizine-2-carbonylamino)acetate

C13H14N2O3 — CID 46845554

IUPACethyl 2-(indolizine-2-carbonylamino)acetate
SMILESCCOC(=O)CNC(=O)c1cc2ccccn2c1
InChIInChI=1S/C13H14N2O3/c1-2-18-12(16)8-14-13(17)10-7-11-5-3-4-6-15(11)9-10/h3-7,9H,2,8H2,1H3,(H,14,17)
InChIKeyBUDDVBUHQYROSP-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.23
Rot. Bonds4

About ethyl 2-(indolizine-2-carbonylamino)acetate

ethyl 2-(indolizine-2-carbonylamino)acetate (PubChem CID 46845554) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is ethyl 2-(indolizine-2-carbonylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(indolizine-2-carbonylamino)acetate
PubChem CID46845554
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Nameethyl 2-(indolizine-2-carbonylamino)acetate
SMILESCCOC(=O)CNC(=O)c1cc2ccccn2c1
InChIInChI=1S/C13H14N2O3/c1-2-18-12(16)8-14-13(17)10-7-11-5-3-4-6-15(11)9-10/h3-7,9H,2,8H2,1H3,(H,14,17)
InChIKeyBUDDVBUHQYROSP-UHFFFAOYSA-N
XLogP1.23
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethyl-2-methylsulfonylbutyl)indolizine-2-carboxamide
CID 71987074
ethyl 2-(naphthalene-2-carbonylamino)acetate
CID 43007593
(2-ethoxy-2-oxoethyl) 2-benzamidoacetate
CID 134093202
ethyl 2-[(3,5-dimethylbenzoyl)amino]acetate
CID 46544273
N-[(2S)-2-hydroxy-2-thiophen-3-ylethyl]indolizine-2-carboxamide
CID 97227852
ethyl 2-[(3,4-dichlorobenzoyl)amino]acetate
CID 5039478
ethyl 2-[(3-amino-4-methylbenzoyl)amino]acetate
CID 60810629
2-(indolizine-2-carbonylamino)-4-methoxybutanoic acid
CID 120702317
ethyl 2-[(3,4,5-trifluorobenzoyl)amino]acetate
CID 63186625
1-indolizin-2-ylhexan-1-one
CID 11333386
ethyl 2-(1-phenylethenylamino)acetate
CID 142204564
ethyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 4056517

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(indolizine-2-carbonylamino)acetate?
The IUPAC name of ethyl 2-(indolizine-2-carbonylamino)acetate (CID 46845554) is ethyl 2-(indolizine-2-carbonylamino)acetate.
What is the SMILES notation for ethyl 2-(indolizine-2-carbonylamino)acetate?
The canonical SMILES for ethyl 2-(indolizine-2-carbonylamino)acetate is CCOC(=O)CNC(=O)c1cc2ccccn2c1.
What is the InChIKey of ethyl 2-(indolizine-2-carbonylamino)acetate?
The InChIKey is BUDDVBUHQYROSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-2-18-12(16)8-14-13(17)10-7-11-5-3-4-6-15(11)9-10/h3-7,9H,2,8H2,1H3,(H,14,17).
What are the key properties of ethyl 2-(indolizine-2-carbonylamino)acetate?
ethyl 2-(indolizine-2-carbonylamino)acetate has a molecular weight of 246.27 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(indolizine-2-carbonylamino)acetate is sourced from PubChem (CID 46845554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).