methyl 2-[(6-chloro-2H-chromene-3-carbonyl)-methylamino]acetate

C14H14ClNO4 — CID 43408851

IUPACmethyl 2-[(6-chloro-2H-chromene-3-carbonyl)-methylamino]acetate
SMILESCOC(=O)CN(C)C(=O)C1=Cc2cc(Cl)ccc2OC1
InChIInChI=1S/C14H14ClNO4/c1-16(7-13(17)19-2)14(18)10-5-9-6-11(15)3-4-12(9)20-8-10/h3-6H,7-8H2,1-2H3
InChIKeyREFBPHCCGIZLOJ-UHFFFAOYSA-N
MW295.72 g/mol
LogP1.75
Rot. Bonds3

About methyl 2-[(6-chloro-2H-chromene-3-carbonyl)-methylamino]acetate

methyl 2-[(6-chloro-2H-chromene-3-carbonyl)-methylamino]acetate (PubChem CID 43408851) has the molecular formula C14H14ClNO4 and a molecular weight of 295.72 g/mol. Its IUPAC name is methyl 2-[(6-chloro-2H-chromene-3-carbonyl)-methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(6-chloro-2H-chromene-3-carbonyl)-methylamino]acetate
PubChem CID43408851
Molecular FormulaC14H14ClNO4
Molecular Weight295.72 g/mol
Exact Mass295.06
IUPAC Namemethyl 2-[(6-chloro-2H-chromene-3-carbonyl)-methylamino]acetate
SMILESCOC(=O)CN(C)C(=O)C1=Cc2cc(Cl)ccc2OC1
InChIInChI=1S/C14H14ClNO4/c1-16(7-13(17)19-2)14(18)10-5-9-6-11(15)3-4-12(9)20-8-10/h3-6H,7-8H2,1-2H3
InChIKeyREFBPHCCGIZLOJ-UHFFFAOYSA-N
XLogP1.75
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.72
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(6-chloro-2H-chromene-3-carbonyl)-propan-2-ylamino]acetate
CID 78884644
methyl 2-[(6-chloro-2H-chromene-3-carbonyl)amino]acetate
CID 43408847
N-(1,3-benzodioxol-5-ylmethyl)-6-chloro-N-methyl-2H-chromene-3-carboxamide
CID 51257741
1-[2-[(6-chloro-2H-chromene-3-carbonyl)-methylamino]acetyl]piperidine-4-carboxylic acid
CID 119235976
6-chloro-2H-chromene-3-carbonyl chloride
CID 2735716
2-[(6-chloro-2H-chromene-3-carbonyl)-[2-(dimethylamino)ethyl]amino]acetic acid
CID 119346798
6-chloro-N,N-bis(2-hydroxyethyl)-2H-chromene-3-carboxamide
CID 61234889
6-chloro-N-methyl-N-(pyridin-3-ylmethyl)-2H-chromene-3-carboxamide
CID 86911414
6-chloro-N-[2-(methylamino)ethyl]-2H-chromene-3-carboxamide
CID 119504069
6-chloro-N-ethoxy-2H-chromene-3-carboxamide
CID 60700765
2-[(6-chloro-2H-chromene-3-carbonyl)-cyclopropylamino]acetic acid
CID 60827378
6-chloro-N-[(2S)-2-hydroxypropyl]-2H-chromene-3-carboxamide
CID 83059499

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(6-chloro-2H-chromene-3-carbonyl)-methylamino]acetate?
The IUPAC name of methyl 2-[(6-chloro-2H-chromene-3-carbonyl)-methylamino]acetate (CID 43408851) is methyl 2-[(6-chloro-2H-chromene-3-carbonyl)-methylamino]acetate.
What is the SMILES notation for methyl 2-[(6-chloro-2H-chromene-3-carbonyl)-methylamino]acetate?
The canonical SMILES for methyl 2-[(6-chloro-2H-chromene-3-carbonyl)-methylamino]acetate is COC(=O)CN(C)C(=O)C1=Cc2cc(Cl)ccc2OC1.
What is the InChIKey of methyl 2-[(6-chloro-2H-chromene-3-carbonyl)-methylamino]acetate?
The InChIKey is REFBPHCCGIZLOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO4/c1-16(7-13(17)19-2)14(18)10-5-9-6-11(15)3-4-12(9)20-8-10/h3-6H,7-8H2,1-2H3.
What are the key properties of methyl 2-[(6-chloro-2H-chromene-3-carbonyl)-methylamino]acetate?
methyl 2-[(6-chloro-2H-chromene-3-carbonyl)-methylamino]acetate has a molecular weight of 295.72 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(6-chloro-2H-chromene-3-carbonyl)-methylamino]acetate is sourced from PubChem (CID 43408851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).