2-[2-(7-methyl-2-oxo-4-propylchromen-5-yl)oxypropanoylamino]propanoic acid

C19H23NO6 — CID 3664519

IUPAC2-[2-(7-methyl-2-oxo-4-propylchromen-5-yl)oxypropanoylamino]propanoic acid
SMILESCCCc1cc(=O)oc2cc(C)cc(OC(C)C(=O)NC(C)C(=O)O)c12
InChIInChI=1S/C19H23NO6/c1-5-6-13-9-16(21)26-15-8-10(2)7-14(17(13)15)25-12(4)18(22)20-11(3)19(23)24/h7-9,11-12H,5-6H2,1-4H3,(H,20,22)(H,23,24)
InChIKeyYDLMELFXYPSBPD-UHFFFAOYSA-N
MW361.39 g/mol
LogP2.41
Rot. Bonds7

About 2-[2-(7-methyl-2-oxo-4-propylchromen-5-yl)oxypropanoylamino]propanoic acid

2-[2-(7-methyl-2-oxo-4-propylchromen-5-yl)oxypropanoylamino]propanoic acid (PubChem CID 3664519) has the molecular formula C19H23NO6 and a molecular weight of 361.39 g/mol. Its IUPAC name is 2-[2-(7-methyl-2-oxo-4-propylchromen-5-yl)oxypropanoylamino]propanoic acid.

Molecular Properties

Compound Name2-[2-(7-methyl-2-oxo-4-propylchromen-5-yl)oxypropanoylamino]propanoic acid
PubChem CID3664519
Molecular FormulaC19H23NO6
Molecular Weight361.39 g/mol
Exact Mass361.15
IUPAC Name2-[2-(7-methyl-2-oxo-4-propylchromen-5-yl)oxypropanoylamino]propanoic acid
SMILESCCCc1cc(=O)oc2cc(C)cc(OC(C)C(=O)NC(C)C(=O)O)c12
InChIInChI=1S/C19H23NO6/c1-5-6-13-9-16(21)26-15-8-10(2)7-14(17(13)15)25-12(4)18(22)20-11(3)19(23)24/h7-9,11-12H,5-6H2,1-4H3,(H,20,22)(H,23,24)
InChIKeyYDLMELFXYPSBPD-UHFFFAOYSA-N
XLogP2.41
TPSA105.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.39
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-2-[2-(7-methyl-2-oxo-4-propylchromen-5-yl)oxypropanoylamino]butanoic acid
CID 71949437
7-methyl-5-[(2S)-3-oxobutan-2-yl]oxy-4-propylchromen-2-one
CID 933118
N-(2-hydroxy-2-phenylethyl)-2-(7-methyl-2-oxo-4-propylchromen-5-yl)oxypropanamide
CID 4911162
4-ethyl-7-methyl-5-[(2S)-3-oxobutan-2-yl]oxychromen-2-one
CID 701525
2-(7-methyl-2-oxo-4-propylchromen-5-yl)oxyacetic acid
CID 662287
(2R)-2-[2-(4-ethyl-2-oxochromen-7-yl)oxypropanoylamino]propanoic acid
CID 135639471
ethyl (2S)-2-(7-methyl-2-oxo-4-phenylchromen-5-yl)oxypropanoate
CID 982342
5-[1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl]oxy-4-ethyl-7-methylchromen-2-one
CID 171386494
6-[[2-(7-methyl-2-oxo-4-propylchromen-5-yl)oxyacetyl]amino]hexanoic acid
CID 3378282
(2R)-2-(6-chloro-2-oxo-4-propylchromen-7-yl)oxypropanoic acid
CID 938033
7-hydroxy-5-(3-methylbut-3-en-2-yloxy)-4-propylchromen-2-one
CID 154723125
3-methyl-2-[2-(2-oxo-4-propylchromen-7-yl)oxypropanoylamino]pentanoic acid
CID 3691454

Frequently Asked Questions

What is the IUPAC name of 2-[2-(7-methyl-2-oxo-4-propylchromen-5-yl)oxypropanoylamino]propanoic acid?
The IUPAC name of 2-[2-(7-methyl-2-oxo-4-propylchromen-5-yl)oxypropanoylamino]propanoic acid (CID 3664519) is 2-[2-(7-methyl-2-oxo-4-propylchromen-5-yl)oxypropanoylamino]propanoic acid.
What is the SMILES notation for 2-[2-(7-methyl-2-oxo-4-propylchromen-5-yl)oxypropanoylamino]propanoic acid?
The canonical SMILES for 2-[2-(7-methyl-2-oxo-4-propylchromen-5-yl)oxypropanoylamino]propanoic acid is CCCc1cc(=O)oc2cc(C)cc(OC(C)C(=O)NC(C)C(=O)O)c12.
What is the InChIKey of 2-[2-(7-methyl-2-oxo-4-propylchromen-5-yl)oxypropanoylamino]propanoic acid?
The InChIKey is YDLMELFXYPSBPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO6/c1-5-6-13-9-16(21)26-15-8-10(2)7-14(17(13)15)25-12(4)18(22)20-11(3)19(23)24/h7-9,11-12H,5-6H2,1-4H3,(H,20,22)(H,23,24).
What are the key properties of 2-[2-(7-methyl-2-oxo-4-propylchromen-5-yl)oxypropanoylamino]propanoic acid?
2-[2-(7-methyl-2-oxo-4-propylchromen-5-yl)oxypropanoylamino]propanoic acid has a molecular weight of 361.39 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(7-methyl-2-oxo-4-propylchromen-5-yl)oxypropanoylamino]propanoic acid is sourced from PubChem (CID 3664519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).