methyl 2-[(7-methoxy-3,4-dihydro-2H-chromene-3-carbonyl)amino]acetate

C14H17NO5 — CID 49192126

IUPACmethyl 2-[(7-methoxy-3,4-dihydro-2H-chromene-3-carbonyl)amino]acetate
SMILESCOC(=O)CNC(=O)C1COc2cc(OC)ccc2C1
InChIInChI=1S/C14H17NO5/c1-18-11-4-3-9-5-10(8-20-12(9)6-11)14(17)15-7-13(16)19-2/h3-4,6,10H,5,7-8H2,1-2H3,(H,15,17)
InChIKeyCBEYQNFPOKPODB-UHFFFAOYSA-N
MW279.29 g/mol
LogP0.54
Rot. Bonds4

About methyl 2-[(7-methoxy-3,4-dihydro-2H-chromene-3-carbonyl)amino]acetate

methyl 2-[(7-methoxy-3,4-dihydro-2H-chromene-3-carbonyl)amino]acetate (PubChem CID 49192126) has the molecular formula C14H17NO5 and a molecular weight of 279.29 g/mol. Its IUPAC name is methyl 2-[(7-methoxy-3,4-dihydro-2H-chromene-3-carbonyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(7-methoxy-3,4-dihydro-2H-chromene-3-carbonyl)amino]acetate
PubChem CID49192126
Molecular FormulaC14H17NO5
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC Namemethyl 2-[(7-methoxy-3,4-dihydro-2H-chromene-3-carbonyl)amino]acetate
SMILESCOC(=O)CNC(=O)C1COc2cc(OC)ccc2C1
InChIInChI=1S/C14H17NO5/c1-18-11-4-3-9-5-10(8-20-12(9)6-11)14(17)15-7-13(16)19-2/h3-4,6,10H,5,7-8H2,1-2H3,(H,15,17)
InChIKeyCBEYQNFPOKPODB-UHFFFAOYSA-N
XLogP0.54
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-methoxy-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 49193904
methyl (3S)-3-[[(3R)-7-methoxy-3,4-dihydro-2H-chromene-3-carbonyl]amino]butanoate
CID 95335885
(3S)-7-methoxy-N-[2-(trifluoromethylsulfanyl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 95050077
(3S)-N-[(2S)-2-hydroxy-2-phenylethyl]-7-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 94823599
(3S)-N-[2-(4-fluorophenoxy)ethyl]-7-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 95050059
(3S)-N-[(2R)-2-hydroxy-2-phenylethyl]-7-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 94823597
7-methoxy-N-[3-[2-methoxyethyl(methyl)amino]propyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 49194606
(3S)-7-methoxy-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 95175196
(3S)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-7-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 97123548
ethyl (3S)-7-methoxy-3,4-dihydro-2H-chromene-3-carboxylate
CID 86334083
methyl 3-[ethyl-[(3R)-7-methoxy-3,4-dihydro-2H-chromene-3-carbonyl]amino]propanoate
CID 94821763
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-7-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 72901030

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(7-methoxy-3,4-dihydro-2H-chromene-3-carbonyl)amino]acetate?
The IUPAC name of methyl 2-[(7-methoxy-3,4-dihydro-2H-chromene-3-carbonyl)amino]acetate (CID 49192126) is methyl 2-[(7-methoxy-3,4-dihydro-2H-chromene-3-carbonyl)amino]acetate.
What is the SMILES notation for methyl 2-[(7-methoxy-3,4-dihydro-2H-chromene-3-carbonyl)amino]acetate?
The canonical SMILES for methyl 2-[(7-methoxy-3,4-dihydro-2H-chromene-3-carbonyl)amino]acetate is COC(=O)CNC(=O)C1COc2cc(OC)ccc2C1.
What is the InChIKey of methyl 2-[(7-methoxy-3,4-dihydro-2H-chromene-3-carbonyl)amino]acetate?
The InChIKey is CBEYQNFPOKPODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO5/c1-18-11-4-3-9-5-10(8-20-12(9)6-11)14(17)15-7-13(16)19-2/h3-4,6,10H,5,7-8H2,1-2H3,(H,15,17).
What are the key properties of methyl 2-[(7-methoxy-3,4-dihydro-2H-chromene-3-carbonyl)amino]acetate?
methyl 2-[(7-methoxy-3,4-dihydro-2H-chromene-3-carbonyl)amino]acetate has a molecular weight of 279.29 g/mol, XLogP of 0.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(7-methoxy-3,4-dihydro-2H-chromene-3-carbonyl)amino]acetate is sourced from PubChem (CID 49192126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).