dimethyl 5-[[(3S)-pyrrolidin-3-yl]methoxy]benzene-1,3-dicarboxylate

C15H19NO5 — CID 165437442

IUPACdimethyl 5-[[(3S)-pyrrolidin-3-yl]methoxy]benzene-1,3-dicarboxylate
SMILESCOC(=O)c1cc(OC[C@H]2CCNC2)cc(C(=O)OC)c1
InChIInChI=1S/C15H19NO5/c1-19-14(17)11-5-12(15(18)20-2)7-13(6-11)21-9-10-3-4-16-8-10/h5-7,10,16H,3-4,8-9H2,1-2H3/t10-/m0/s1
InChIKeyPOIKZKLRLMFRLV-JTQLQIEISA-N
MW293.32 g/mol
LogP1.25
Rot. Bonds5

About dimethyl 5-[[(3S)-pyrrolidin-3-yl]methoxy]benzene-1,3-dicarboxylate

dimethyl 5-[[(3S)-pyrrolidin-3-yl]methoxy]benzene-1,3-dicarboxylate (PubChem CID 165437442) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is dimethyl 5-[[(3S)-pyrrolidin-3-yl]methoxy]benzene-1,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 5-[[(3S)-pyrrolidin-3-yl]methoxy]benzene-1,3-dicarboxylate
PubChem CID165437442
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Namedimethyl 5-[[(3S)-pyrrolidin-3-yl]methoxy]benzene-1,3-dicarboxylate
SMILESCOC(=O)c1cc(OC[C@H]2CCNC2)cc(C(=O)OC)c1
InChIInChI=1S/C15H19NO5/c1-19-14(17)11-5-12(15(18)20-2)7-13(6-11)21-9-10-3-4-16-8-10/h5-7,10,16H,3-4,8-9H2,1-2H3/t10-/m0/s1
InChIKeyPOIKZKLRLMFRLV-JTQLQIEISA-N
XLogP1.25
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze dimethyl 5-[[(3S)-pyrrolidin-3-yl]methoxy]benzene-1,3-dicarboxylate 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-(pyrrolidin-3-ylmethoxy)benzoate;hydrochloride
CID 56830232
methyl 3-(cyclobutylmethoxy)-5-[[(3R,4R)-4-hydroxypiperidin-3-yl]carbamoyl]benzoate
CID 70780826
methyl 4-methoxy-3-(pyrrolidin-3-ylmethoxy)benzoate
CID 117053759
methyl 3-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-5-(cyclobutylmethoxy)benzoate
CID 70784227
N-[4-[[(3R)-pyrrolidin-3-yl]methoxy]phenyl]acetamide
CID 86321304
methyl 2-[[(3S)-pyrrolidin-3-yl]methoxy]benzoate
CID 86320528
methyl 4-[[(3R)-pyrrolidin-3-yl]methoxymethyl]benzoate
CID 86321712
N-[3-[[(3R)-pyrrolidin-3-yl]methoxy]phenyl]acetamide
CID 86321166
methyl 3-[3-(pyrrolidin-3-ylmethoxy)phenyl]propanoate
CID 144899288
methyl 3-(cyclobutylmethoxy)-5-(thiomorpholine-4-carbonyl)benzoate
CID 70757141
2-amino-1-[4-(pyrrolidin-3-ylmethoxy)phenyl]ethanone
CID 170861087
methyl 4-[(3R)-pyrrolidine-3-carbonyl]benzoate
CID 99934590

Frequently Asked Questions

What is the IUPAC name of dimethyl 5-[[(3S)-pyrrolidin-3-yl]methoxy]benzene-1,3-dicarboxylate?
The IUPAC name of dimethyl 5-[[(3S)-pyrrolidin-3-yl]methoxy]benzene-1,3-dicarboxylate (CID 165437442) is dimethyl 5-[[(3S)-pyrrolidin-3-yl]methoxy]benzene-1,3-dicarboxylate.
What is the SMILES notation for dimethyl 5-[[(3S)-pyrrolidin-3-yl]methoxy]benzene-1,3-dicarboxylate?
The canonical SMILES for dimethyl 5-[[(3S)-pyrrolidin-3-yl]methoxy]benzene-1,3-dicarboxylate is COC(=O)c1cc(OC[C@H]2CCNC2)cc(C(=O)OC)c1.
What is the InChIKey of dimethyl 5-[[(3S)-pyrrolidin-3-yl]methoxy]benzene-1,3-dicarboxylate?
The InChIKey is POIKZKLRLMFRLV-JTQLQIEISA-N. The full InChI is InChI=1S/C15H19NO5/c1-19-14(17)11-5-12(15(18)20-2)7-13(6-11)21-9-10-3-4-16-8-10/h5-7,10,16H,3-4,8-9H2,1-2H3/t10-/m0/s1.
What are the key properties of dimethyl 5-[[(3S)-pyrrolidin-3-yl]methoxy]benzene-1,3-dicarboxylate?
dimethyl 5-[[(3S)-pyrrolidin-3-yl]methoxy]benzene-1,3-dicarboxylate has a molecular weight of 293.32 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 5-[[(3S)-pyrrolidin-3-yl]methoxy]benzene-1,3-dicarboxylate is sourced from PubChem (CID 165437442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).