methyl 1-[[4-(hydroxymethyl)phenyl]methylamino]cyclopentane-1-carboxylate

C15H21NO3 — CID 110009645

IUPACmethyl 1-[[4-(hydroxymethyl)phenyl]methylamino]cyclopentane-1-carboxylate
SMILESCOC(=O)C1(NCc2ccc(CO)cc2)CCCC1
InChIInChI=1S/C15H21NO3/c1-19-14(18)15(8-2-3-9-15)16-10-12-4-6-13(11-17)7-5-12/h4-7,16-17H,2-3,8-11H2,1H3
InChIKeyOKQVPSPZHWACIF-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.75
Rot. Bonds5

About methyl 1-[[4-(hydroxymethyl)phenyl]methylamino]cyclopentane-1-carboxylate

methyl 1-[[4-(hydroxymethyl)phenyl]methylamino]cyclopentane-1-carboxylate (PubChem CID 110009645) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is methyl 1-[[4-(hydroxymethyl)phenyl]methylamino]cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[[4-(hydroxymethyl)phenyl]methylamino]cyclopentane-1-carboxylate
PubChem CID110009645
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Namemethyl 1-[[4-(hydroxymethyl)phenyl]methylamino]cyclopentane-1-carboxylate
SMILESCOC(=O)C1(NCc2ccc(CO)cc2)CCCC1
InChIInChI=1S/C15H21NO3/c1-19-14(18)15(8-2-3-9-15)16-10-12-4-6-13(11-17)7-5-12/h4-7,16-17H,2-3,8-11H2,1H3
InChIKeyOKQVPSPZHWACIF-UHFFFAOYSA-N
XLogP1.75
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 1-[[4-(hydroxymethyl)phenyl]methylamino]cyclopentane-1-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

1-[[4-(hydroxymethyl)phenyl]methylamino]-N-propylcyclohexane-1-carboxamide
CID 110009499
cyclopentyl 1-[[4-[(E)-3-methoxy-3-oxoprop-1-enyl]phenyl]methylamino]cyclopentane-1-carboxylate
CID 67955681
ethyl 1-(benzylamino)cyclooctane-1-carboxylate
CID 63524439
N-[[4-(hydroxymethyl)phenyl]methyl]-1-methylcyclopentane-1-carboxamide
CID 107231871
methyl 1-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]cyclopropane-1-carboxylate
CID 86805959
methyl 2-(benzylamino)-1,3-dihydroindene-2-carboxylate
CID 60992152
methyl 1-(ethylamino)cyclododecane-1-carboxylate
CID 60788037
methyl 4-[(4-bromophenyl)methylamino]-1-phenylpiperidine-4-carboxylate
CID 138707390
methyl 3-[4-(hydroxymethyl)phenoxy]-1-(methylamino)cyclohexane-1-carboxylate
CID 79634581
methyl 4-(benzylamino)-1-propylpiperidine-4-carboxylate
CID 60992679
1-[(4-fluorophenyl)methylamino]cyclopentane-1-carboxylic acid
CID 114990344
methyl 1-(2-hydroxyethylamino)cyclobutane-1-carboxylate
CID 136574717

Frequently Asked Questions

What is the IUPAC name of methyl 1-[[4-(hydroxymethyl)phenyl]methylamino]cyclopentane-1-carboxylate?
The IUPAC name of methyl 1-[[4-(hydroxymethyl)phenyl]methylamino]cyclopentane-1-carboxylate (CID 110009645) is methyl 1-[[4-(hydroxymethyl)phenyl]methylamino]cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 1-[[4-(hydroxymethyl)phenyl]methylamino]cyclopentane-1-carboxylate?
The canonical SMILES for methyl 1-[[4-(hydroxymethyl)phenyl]methylamino]cyclopentane-1-carboxylate is COC(=O)C1(NCc2ccc(CO)cc2)CCCC1.
What is the InChIKey of methyl 1-[[4-(hydroxymethyl)phenyl]methylamino]cyclopentane-1-carboxylate?
The InChIKey is OKQVPSPZHWACIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-19-14(18)15(8-2-3-9-15)16-10-12-4-6-13(11-17)7-5-12/h4-7,16-17H,2-3,8-11H2,1H3.
What are the key properties of methyl 1-[[4-(hydroxymethyl)phenyl]methylamino]cyclopentane-1-carboxylate?
methyl 1-[[4-(hydroxymethyl)phenyl]methylamino]cyclopentane-1-carboxylate has a molecular weight of 263.34 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[[4-(hydroxymethyl)phenyl]methylamino]cyclopentane-1-carboxylate is sourced from PubChem (CID 110009645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).