methyl 3-[[[(1S)-2-hydroxy-1-phenylethyl]amino]methyl]furan-2-carboxylate

C15H17NO4 — CID 103922966

IUPACmethyl 3-[[[(1S)-2-hydroxy-1-phenylethyl]amino]methyl]furan-2-carboxylate
SMILESCOC(=O)c1occc1CN[C@H](CO)c1ccccc1
InChIInChI=1S/C15H17NO4/c1-19-15(18)14-12(7-8-20-14)9-16-13(10-17)11-5-3-2-4-6-11/h2-8,13,16-17H,9-10H2,1H3/t13-/m1/s1
InChIKeyCBNODVRWJLIDIO-CYBMUJFWSA-N
MW275.30 g/mol
LogP1.89
Rot. Bonds6

About methyl 3-[[[(1S)-2-hydroxy-1-phenylethyl]amino]methyl]furan-2-carboxylate

methyl 3-[[[(1S)-2-hydroxy-1-phenylethyl]amino]methyl]furan-2-carboxylate (PubChem CID 103922966) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is methyl 3-[[[(1S)-2-hydroxy-1-phenylethyl]amino]methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[[(1S)-2-hydroxy-1-phenylethyl]amino]methyl]furan-2-carboxylate
PubChem CID103922966
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Namemethyl 3-[[[(1S)-2-hydroxy-1-phenylethyl]amino]methyl]furan-2-carboxylate
SMILESCOC(=O)c1occc1CN[C@H](CO)c1ccccc1
InChIInChI=1S/C15H17NO4/c1-19-15(18)14-12(7-8-20-14)9-16-13(10-17)11-5-3-2-4-6-11/h2-8,13,16-17H,9-10H2,1H3/t13-/m1/s1
InChIKeyCBNODVRWJLIDIO-CYBMUJFWSA-N
XLogP1.89
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 3-[[[(1S)-2-hydroxy-1-phenylethyl]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 3-[(1-phenylbutylamino)methyl]furan-2-carboxylate
CID 43234815
methyl 3-[(1,3-dihydroxypropan-2-ylamino)methyl]furan-2-carboxylate
CID 65315678
methyl 3-[[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]methyl]furan-2-carboxylate
CID 102673425
methyl 2-[[[(1S)-2-hydroxy-1-phenylethyl]amino]methyl]benzoate
CID 103922980
3-[(1-phenylpropylamino)methyl]furan-2-carboxylic acid
CID 103248056
methyl 3-[[[(2R)-4-hydroxybutan-2-yl]amino]methyl]furan-2-carboxylate
CID 103923910
methyl 3-[[1-(dimethylamino)propan-2-ylamino]methyl]furan-2-carboxylate
CID 82945092
methyl 3-[[[(1R)-1-(furan-2-yl)ethyl]amino]methyl]furan-2-carboxylate
CID 81402967
methyl 3-[(phenylmethoxyamino)methyl]furan-2-carboxylate
CID 82709261
methyl 3-[[1-(3-methoxyphenyl)ethylamino]methyl]furan-2-carboxylate
CID 60944540
methyl 3-[[[1-(dimethylamino)-3-methylbutan-2-yl]amino]methyl]furan-2-carboxylate
CID 61476816
methyl 3-[(1-cyclopropylethylamino)methyl]furan-2-carboxylate
CID 43776577

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[[(1S)-2-hydroxy-1-phenylethyl]amino]methyl]furan-2-carboxylate?
The IUPAC name of methyl 3-[[[(1S)-2-hydroxy-1-phenylethyl]amino]methyl]furan-2-carboxylate (CID 103922966) is methyl 3-[[[(1S)-2-hydroxy-1-phenylethyl]amino]methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 3-[[[(1S)-2-hydroxy-1-phenylethyl]amino]methyl]furan-2-carboxylate?
The canonical SMILES for methyl 3-[[[(1S)-2-hydroxy-1-phenylethyl]amino]methyl]furan-2-carboxylate is COC(=O)c1occc1CN[C@H](CO)c1ccccc1.
What is the InChIKey of methyl 3-[[[(1S)-2-hydroxy-1-phenylethyl]amino]methyl]furan-2-carboxylate?
The InChIKey is CBNODVRWJLIDIO-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H17NO4/c1-19-15(18)14-12(7-8-20-14)9-16-13(10-17)11-5-3-2-4-6-11/h2-8,13,16-17H,9-10H2,1H3/t13-/m1/s1.
What are the key properties of methyl 3-[[[(1S)-2-hydroxy-1-phenylethyl]amino]methyl]furan-2-carboxylate?
methyl 3-[[[(1S)-2-hydroxy-1-phenylethyl]amino]methyl]furan-2-carboxylate has a molecular weight of 275.30 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[[(1S)-2-hydroxy-1-phenylethyl]amino]methyl]furan-2-carboxylate is sourced from PubChem (CID 103922966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).