2-amino-2-(8-methoxy-3,4-dihydro-2H-chromen-4-yl)acetic acid

C12H15NO4 — CID 83912173

IUPAC2-amino-2-(8-methoxy-3,4-dihydro-2H-chromen-4-yl)acetic acid
SMILESCOc1cccc2c1OCCC2C(N)C(=O)O
InChIInChI=1S/C12H15NO4/c1-16-9-4-2-3-8-7(10(13)12(14)15)5-6-17-11(8)9/h2-4,7,10H,5-6,13H2,1H3,(H,14,15)
InChIKeyOXPZXMYQYPESQP-UHFFFAOYSA-N
MW237.25 g/mol
LogP0.97
Rot. Bonds3

About 2-amino-2-(8-methoxy-3,4-dihydro-2H-chromen-4-yl)acetic acid

2-amino-2-(8-methoxy-3,4-dihydro-2H-chromen-4-yl)acetic acid (PubChem CID 83912173) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is 2-amino-2-(8-methoxy-3,4-dihydro-2H-chromen-4-yl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(8-methoxy-3,4-dihydro-2H-chromen-4-yl)acetic acid
PubChem CID83912173
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name2-amino-2-(8-methoxy-3,4-dihydro-2H-chromen-4-yl)acetic acid
SMILESCOc1cccc2c1OCCC2C(N)C(=O)O
InChIInChI=1S/C12H15NO4/c1-16-9-4-2-3-8-7(10(13)12(14)15)5-6-17-11(8)9/h2-4,7,10H,5-6,13H2,1H3,(H,14,15)
InChIKeyOXPZXMYQYPESQP-UHFFFAOYSA-N
XLogP0.97
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-(4-methoxy-2,3-dihydro-1H-inden-1-yl)acetic acid
CID 83910520
2-[[4-[amino-(4-methoxyphenyl)sulfonylmethyl]-3,4-dihydro-2H-chromen-8-yl]oxy]acetic acid
CID 70399827
8-methoxy-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 43511818
4-isocyanato-8-methoxy-3,4-dihydro-2H-chromene
CID 83832693
(2S)-2-[(3R)-7-methoxy-2,3-dihydro-1-benzofuran-3-yl]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
CID 146630289
N-benzyl-8-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 82461734
2-amino-2-[2-methoxy-3-(oxan-4-yloxy)phenyl]acetic acid
CID 117451366
(3R)-3-hydroxy-8,16-dimethoxy-10,14-dioxatricyclo[13.4.0.04,9]nonadeca-1(15),4(9),5,7,16,18-hexaen-2-one
CID 134962846
2-fluoro-2-(4-methoxy-2,3-dihydro-1H-inden-1-yl)acetic acid
CID 105481651
8-methoxy-N-(3-morpholin-4-ylpropyl)-3,4-dihydro-2H-chromen-4-amine
CID 82461715
2-(7-methoxy-2,3-dihydro-1-benzothiophen-3-yl)propanoic acid
CID 83912383
1-[2-[(1S,2S)-2-hydroxycyclohexyl]ethyl]-3-(8-methoxy-3,4-dihydro-2H-chromen-4-yl)urea
CID 138022701

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(8-methoxy-3,4-dihydro-2H-chromen-4-yl)acetic acid?
The IUPAC name of 2-amino-2-(8-methoxy-3,4-dihydro-2H-chromen-4-yl)acetic acid (CID 83912173) is 2-amino-2-(8-methoxy-3,4-dihydro-2H-chromen-4-yl)acetic acid.
What is the SMILES notation for 2-amino-2-(8-methoxy-3,4-dihydro-2H-chromen-4-yl)acetic acid?
The canonical SMILES for 2-amino-2-(8-methoxy-3,4-dihydro-2H-chromen-4-yl)acetic acid is COc1cccc2c1OCCC2C(N)C(=O)O.
What is the InChIKey of 2-amino-2-(8-methoxy-3,4-dihydro-2H-chromen-4-yl)acetic acid?
The InChIKey is OXPZXMYQYPESQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-16-9-4-2-3-8-7(10(13)12(14)15)5-6-17-11(8)9/h2-4,7,10H,5-6,13H2,1H3,(H,14,15).
What are the key properties of 2-amino-2-(8-methoxy-3,4-dihydro-2H-chromen-4-yl)acetic acid?
2-amino-2-(8-methoxy-3,4-dihydro-2H-chromen-4-yl)acetic acid has a molecular weight of 237.25 g/mol, XLogP of 0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(8-methoxy-3,4-dihydro-2H-chromen-4-yl)acetic acid is sourced from PubChem (CID 83912173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).