(2R)-2-amino-3-(6,7-dimethoxy-2-oxochromen-4-yl)propanoic acid

C14H15NO6 — CID 15337094

IUPAC(2R)-2-amino-3-(6,7-dimethoxy-2-oxochromen-4-yl)propanoic acid
SMILESCOc1cc2oc(=O)cc(C[C@@H](N)C(=O)O)c2cc1OC
InChIInChI=1S/C14H15NO6/c1-19-11-5-8-7(3-9(15)14(17)18)4-13(16)21-10(8)6-12(11)20-2/h4-6,9H,3,15H2,1-2H3,(H,17,18)/t9-/m1/s1
InChIKeyGKVCKTGEIBUCEK-SECBINFHSA-N
MW293.28 g/mol
LogP0.76
Rot. Bonds5

About (2R)-2-amino-3-(6,7-dimethoxy-2-oxochromen-4-yl)propanoic acid

(2R)-2-amino-3-(6,7-dimethoxy-2-oxochromen-4-yl)propanoic acid (PubChem CID 15337094) has the molecular formula C14H15NO6 and a molecular weight of 293.28 g/mol. Its IUPAC name is (2R)-2-amino-3-(6,7-dimethoxy-2-oxochromen-4-yl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-(6,7-dimethoxy-2-oxochromen-4-yl)propanoic acid
PubChem CID15337094
Molecular FormulaC14H15NO6
Molecular Weight293.28 g/mol
Exact Mass293.09
IUPAC Name(2R)-2-amino-3-(6,7-dimethoxy-2-oxochromen-4-yl)propanoic acid
SMILESCOc1cc2oc(=O)cc(C[C@@H](N)C(=O)O)c2cc1OC
InChIInChI=1S/C14H15NO6/c1-19-11-5-8-7(3-9(15)14(17)18)4-13(16)21-10(8)6-12(11)20-2/h4-6,9H,3,15H2,1-2H3,(H,17,18)/t9-/m1/s1
InChIKeyGKVCKTGEIBUCEK-SECBINFHSA-N
XLogP0.76
TPSA111.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.28
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(6,7-dimethoxy-2-oxochromen-4-yl)acetate
CID 25272422
(2S)-2-amino-3-(7-amino-2-oxochromen-4-yl)propanoic acid
CID 88589779
ethyl 2-(6,7-dimethoxy-2-oxochromen-4-yl)acetate
CID 11358293
4-(chloromethyl)-6,7-dimethoxychromen-2-one
CID 12070149
(2S)-2-amino-3-(7-hydroxy-5-methoxy-2-oxochromen-4-yl)propanoic acid;2,2,2-trifluoroacetic acid
CID 11349891
2-amino-4-(7-methoxy-2-oxochromen-4-yl)butanoic acid
CID 72791619
2-amino-3-(3-fluoro-2,4,5-trimethoxyphenyl)propanoic acid
CID 117435384
4-ethyl-7-hydroxy-6-methoxychromen-2-one
CID 119087961
2-amino-3-(4,5-dimethoxy-2-propan-2-ylphenyl)propanoic acid
CID 117421669
2-amino-3-(4,5-dimethoxy-2,3-dimethylphenyl)propanoic acid
CID 117385929
(6,7-dimethoxy-2-oxochromen-4-yl)methyl-dimethylsulfanium tetrafluoroborate
CID 139891508
2-amino-3-(5-ethoxy-2,4-dimethoxyphenyl)propanoic acid
CID 117426372

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-(6,7-dimethoxy-2-oxochromen-4-yl)propanoic acid?
The IUPAC name of (2R)-2-amino-3-(6,7-dimethoxy-2-oxochromen-4-yl)propanoic acid (CID 15337094) is (2R)-2-amino-3-(6,7-dimethoxy-2-oxochromen-4-yl)propanoic acid.
What is the SMILES notation for (2R)-2-amino-3-(6,7-dimethoxy-2-oxochromen-4-yl)propanoic acid?
The canonical SMILES for (2R)-2-amino-3-(6,7-dimethoxy-2-oxochromen-4-yl)propanoic acid is COc1cc2oc(=O)cc(C[C@@H](N)C(=O)O)c2cc1OC.
What is the InChIKey of (2R)-2-amino-3-(6,7-dimethoxy-2-oxochromen-4-yl)propanoic acid?
The InChIKey is GKVCKTGEIBUCEK-SECBINFHSA-N. The full InChI is InChI=1S/C14H15NO6/c1-19-11-5-8-7(3-9(15)14(17)18)4-13(16)21-10(8)6-12(11)20-2/h4-6,9H,3,15H2,1-2H3,(H,17,18)/t9-/m1/s1.
What are the key properties of (2R)-2-amino-3-(6,7-dimethoxy-2-oxochromen-4-yl)propanoic acid?
(2R)-2-amino-3-(6,7-dimethoxy-2-oxochromen-4-yl)propanoic acid has a molecular weight of 293.28 g/mol, XLogP of 0.76, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-(6,7-dimethoxy-2-oxochromen-4-yl)propanoic acid is sourced from PubChem (CID 15337094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).