2-[(morpholin-4-ylamino)methyl]-1-benzofuran-3-carboxylic acid

C14H16N2O4 — CID 103261059

IUPAC2-[(morpholin-4-ylamino)methyl]-1-benzofuran-3-carboxylic acid
SMILESO=C(O)c1c(CNN2CCOCC2)oc2ccccc12
InChIInChI=1S/C14H16N2O4/c17-14(18)13-10-3-1-2-4-11(10)20-12(13)9-15-16-5-7-19-8-6-16/h1-4,15H,5-9H2,(H,17,18)
InChIKeyVPNNJMYDWWWDHW-UHFFFAOYSA-N
MW276.29 g/mol
LogP1.47
Rot. Bonds4

About 2-[(morpholin-4-ylamino)methyl]-1-benzofuran-3-carboxylic acid

2-[(morpholin-4-ylamino)methyl]-1-benzofuran-3-carboxylic acid (PubChem CID 103261059) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 2-[(morpholin-4-ylamino)methyl]-1-benzofuran-3-carboxylic acid.

Molecular Properties

Compound Name2-[(morpholin-4-ylamino)methyl]-1-benzofuran-3-carboxylic acid
PubChem CID103261059
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name2-[(morpholin-4-ylamino)methyl]-1-benzofuran-3-carboxylic acid
SMILESO=C(O)c1c(CNN2CCOCC2)oc2ccccc12
InChIInChI=1S/C14H16N2O4/c17-14(18)13-10-3-1-2-4-11(10)20-12(13)9-15-16-5-7-19-8-6-16/h1-4,15H,5-9H2,(H,17,18)
InChIKeyVPNNJMYDWWWDHW-UHFFFAOYSA-N
XLogP1.47
TPSA74.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(morpholin-4-ylamino)methyl]-1-benzofuran-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(morpholin-4-ylamino)methyl]-1-benzofuran-2-carboxylic acid
CID 103261025
2-[(cyclopropylmethylamino)methyl]-1-benzofuran-3-carboxylic acid
CID 103231163
2-[(4-methylpentan-2-ylamino)methyl]-1-benzofuran-3-carboxylic acid
CID 103237666
2-[(thiophen-2-ylmethylamino)methyl]-1-benzofuran-3-carboxylic acid
CID 103237396
2-[[(2,2-dimethylcyclopropyl)amino]methyl]-1-benzofuran-3-carboxylic acid
CID 103244121
2-[[(1-methylcyclohexyl)amino]methyl]-1-benzofuran-3-carboxylic acid
CID 103244865
2-[[(1-methoxy-1-oxopropan-2-yl)amino]methyl]-1-benzofuran-3-carboxylic acid
CID 103245339
2-[(1-methylsulfanylpropan-2-ylamino)methyl]-1-benzofuran-3-carboxylic acid
CID 103266113
2-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]-1-benzofuran-3-carboxylic acid
CID 106215284
2-[[(2-methyloxolan-3-yl)amino]methyl]-1-benzofuran-3-carboxylic acid
CID 103261797
2-[(thian-4-ylamino)methyl]-1-benzofuran-3-carboxylic acid
CID 103267357
2-[[(4-methylcyclohexyl)amino]methyl]-1-benzofuran-3-carboxylic acid
CID 103234011

Frequently Asked Questions

What is the IUPAC name of 2-[(morpholin-4-ylamino)methyl]-1-benzofuran-3-carboxylic acid?
The IUPAC name of 2-[(morpholin-4-ylamino)methyl]-1-benzofuran-3-carboxylic acid (CID 103261059) is 2-[(morpholin-4-ylamino)methyl]-1-benzofuran-3-carboxylic acid.
What is the SMILES notation for 2-[(morpholin-4-ylamino)methyl]-1-benzofuran-3-carboxylic acid?
The canonical SMILES for 2-[(morpholin-4-ylamino)methyl]-1-benzofuran-3-carboxylic acid is O=C(O)c1c(CNN2CCOCC2)oc2ccccc12.
What is the InChIKey of 2-[(morpholin-4-ylamino)methyl]-1-benzofuran-3-carboxylic acid?
The InChIKey is VPNNJMYDWWWDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c17-14(18)13-10-3-1-2-4-11(10)20-12(13)9-15-16-5-7-19-8-6-16/h1-4,15H,5-9H2,(H,17,18).
What are the key properties of 2-[(morpholin-4-ylamino)methyl]-1-benzofuran-3-carboxylic acid?
2-[(morpholin-4-ylamino)methyl]-1-benzofuran-3-carboxylic acid has a molecular weight of 276.29 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(morpholin-4-ylamino)methyl]-1-benzofuran-3-carboxylic acid is sourced from PubChem (CID 103261059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).