methyl 5-[[[(1S)-1-pyridin-4-ylethyl]amino]methyl]furan-2-carboxylate

C14H16N2O3 — CID 81405878

IUPACmethyl 5-[[[(1S)-1-pyridin-4-ylethyl]amino]methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(CN[C@@H](C)c2ccncc2)o1
InChIInChI=1S/C14H16N2O3/c1-10(11-5-7-15-8-6-11)16-9-12-3-4-13(19-12)14(17)18-2/h3-8,10,16H,9H2,1-2H3/t10-/m0/s1
InChIKeyKFMMCHKAHGDHCN-JTQLQIEISA-N
MW260.29 g/mol
LogP2.31
Rot. Bonds5

About methyl 5-[[[(1S)-1-pyridin-4-ylethyl]amino]methyl]furan-2-carboxylate

methyl 5-[[[(1S)-1-pyridin-4-ylethyl]amino]methyl]furan-2-carboxylate (PubChem CID 81405878) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is methyl 5-[[[(1S)-1-pyridin-4-ylethyl]amino]methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[[(1S)-1-pyridin-4-ylethyl]amino]methyl]furan-2-carboxylate
PubChem CID81405878
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Namemethyl 5-[[[(1S)-1-pyridin-4-ylethyl]amino]methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(CN[C@@H](C)c2ccncc2)o1
InChIInChI=1S/C14H16N2O3/c1-10(11-5-7-15-8-6-11)16-9-12-3-4-13(19-12)14(17)18-2/h3-8,10,16H,9H2,1-2H3/t10-/m0/s1
InChIKeyKFMMCHKAHGDHCN-JTQLQIEISA-N
XLogP2.31
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 5-[[[(1S)-1-pyridin-4-ylethyl]amino]methyl]furan-2-carboxylate 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

methyl 5-[[[(1R)-1-(4-methoxyphenyl)ethyl]amino]methyl]furan-2-carboxylate
CID 81367481
methyl 5-[(butan-2-ylamino)methyl]furan-2-carboxylate chloride
CID 53314358
methyl 5-[(1-thiophen-2-ylethylamino)methyl]furan-2-carboxylate
CID 43222470
methyl 5-[[[(1S)-1-(3-methoxyphenyl)ethyl]amino]methyl]furan-2-carboxylate
CID 81354745
methyl 5-[[1-(2-methoxyphenyl)ethylamino]methyl]furan-2-carboxylate
CID 43218635
N-[(5-iodofuran-2-yl)methyl]-1-pyridin-4-ylethanamine
CID 43766842
methyl 5-[(1,3-dihydroxypropan-2-ylamino)methyl]furan-2-carboxylate
CID 65314992
N-[(5-bromofuran-2-yl)methyl]-1-pyridin-4-ylethanamine
CID 43180998
2-[4-[[[(1S)-1-pyridin-4-ylethyl]amino]methyl]phenyl]acetic acid
CID 103258913
5-[[[(1R)-1-pyridin-3-ylethyl]amino]methyl]furan-2-carboxylic acid
CID 81404845
methyl 5-[(dicyclopropylmethylamino)methyl]furan-2-carboxylate
CID 43234866
methyl 5-[(1-phenylpropylamino)methyl]furan-2-carboxylate
CID 62304868

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[[(1S)-1-pyridin-4-ylethyl]amino]methyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[[[(1S)-1-pyridin-4-ylethyl]amino]methyl]furan-2-carboxylate (CID 81405878) is methyl 5-[[[(1S)-1-pyridin-4-ylethyl]amino]methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[[[(1S)-1-pyridin-4-ylethyl]amino]methyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[[[(1S)-1-pyridin-4-ylethyl]amino]methyl]furan-2-carboxylate is COC(=O)c1ccc(CN[C@@H](C)c2ccncc2)o1.
What is the InChIKey of methyl 5-[[[(1S)-1-pyridin-4-ylethyl]amino]methyl]furan-2-carboxylate?
The InChIKey is KFMMCHKAHGDHCN-JTQLQIEISA-N. The full InChI is InChI=1S/C14H16N2O3/c1-10(11-5-7-15-8-6-11)16-9-12-3-4-13(19-12)14(17)18-2/h3-8,10,16H,9H2,1-2H3/t10-/m0/s1.
What are the key properties of methyl 5-[[[(1S)-1-pyridin-4-ylethyl]amino]methyl]furan-2-carboxylate?
methyl 5-[[[(1S)-1-pyridin-4-ylethyl]amino]methyl]furan-2-carboxylate has a molecular weight of 260.29 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[[(1S)-1-pyridin-4-ylethyl]amino]methyl]furan-2-carboxylate is sourced from PubChem (CID 81405878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).