2-formamidoacetic acid;2-methyldibenzofuran

C16H15NO4 — CID 169198330

IUPAC2-formamidoacetic acid;2-methyldibenzofuran
SMILESCc1ccc2oc3ccccc3c2c1.O=CNCC(=O)O
InChIInChI=1S/C13H10O.C3H5NO3/c1-9-6-7-13-11(8-9)10-4-2-3-5-12(10)14-13;5-2-4-1-3(6)7/h2-8H,1H3;2H,1H2,(H,4,5)(H,6,7)
InChIKeyPRGJEJIGKZVJNP-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.71
Rot. Bonds3

About 2-formamidoacetic acid;2-methyldibenzofuran

2-formamidoacetic acid;2-methyldibenzofuran (PubChem CID 169198330) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is 2-formamidoacetic acid;2-methyldibenzofuran.

Molecular Properties

Compound Name2-formamidoacetic acid;2-methyldibenzofuran
PubChem CID169198330
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name2-formamidoacetic acid;2-methyldibenzofuran
SMILESCc1ccc2oc3ccccc3c2c1.O=CNCC(=O)O
InChIInChI=1S/C13H10O.C3H5NO3/c1-9-6-7-13-11(8-9)10-4-2-3-5-12(10)14-13;5-2-4-1-3(6)7/h2-8H,1H3;2H,1H2,(H,4,5)(H,6,7)
InChIKeyPRGJEJIGKZVJNP-UHFFFAOYSA-N
XLogP2.71
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methylxanthen-9-one;xanthen-9-one
CID 70546954
3-dibenzofuran-2-ylpropanoic acid
CID 2728916
N-dibenzofuran-2-ylformamide
CID 64992528
(E)-3-dibenzofuran-2-yl-2-[(4-methylphenoxy)methyl]prop-2-enoic acid
CID 71530111
4-dibenzofuran-2-yl-3-methoxycarbonylpent-3-enoic acid
CID 54109960
2-(dibenzofuran-3-carbonylamino)acetic acid
CID 169199306
[2-(dibenzofuran-2-ylamino)-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 8555634
2-(7-methylphenanthren-2-yl)dibenzofuran
CID 118887116
2-formamidoacetic acid
CID 170552381
N-dibenzofuran-2-yl-2-[[(1R)-1-phenylethyl]amino]acetamide
CID 8519906
methyl dibenzofuran-2-carboxylate
CID 3702628
3-dibenzofuran-2-yloxybutanoic acid
CID 43536200

Frequently Asked Questions

What is the IUPAC name of 2-formamidoacetic acid;2-methyldibenzofuran?
The IUPAC name of 2-formamidoacetic acid;2-methyldibenzofuran (CID 169198330) is 2-formamidoacetic acid;2-methyldibenzofuran.
What is the SMILES notation for 2-formamidoacetic acid;2-methyldibenzofuran?
The canonical SMILES for 2-formamidoacetic acid;2-methyldibenzofuran is Cc1ccc2oc3ccccc3c2c1.O=CNCC(=O)O.
What is the InChIKey of 2-formamidoacetic acid;2-methyldibenzofuran?
The InChIKey is PRGJEJIGKZVJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O.C3H5NO3/c1-9-6-7-13-11(8-9)10-4-2-3-5-12(10)14-13;5-2-4-1-3(6)7/h2-8H,1H3;2H,1H2,(H,4,5)(H,6,7).
What are the key properties of 2-formamidoacetic acid;2-methyldibenzofuran?
2-formamidoacetic acid;2-methyldibenzofuran has a molecular weight of 285.30 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-formamidoacetic acid;2-methyldibenzofuran is sourced from PubChem (CID 169198330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).