methyl (3R)-3-(dibenzylamino)cyclopentane-1-carboxylate;(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid

C32H44N2O6 — CID 159448743

IUPACmethyl (3R)-3-(dibenzylamino)cyclopentane-1-carboxylate;(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid
SMILESCC(C)(C)OC(=O)N[C@@H]1CCC(C(=O)O)C1.COC(=O)C1CC[C@@H](N(Cc2ccccc2)Cc2ccccc2)C1
InChIInChI=1S/C21H25NO2.C11H19NO4/c1-24-21(23)19-12-13-20(14-19)22(15-17-8-4-2-5-9-17)16-18-10-6-3-7-11-18;1-11(2,3)16-10(15)12-8-5-4-7(6-8)9(13)14/h2-11,19-20H,12-16H2,1H3;7-8H,4-6H2,1-3H3,(H,12,15)(H,13,14)/t19?,20-;7?,8-/m11/s1
InChIKeyLTCATDGZCQZRID-FEFCQRHRSA-N
MW552.71 g/mol
LogP5.79
Rot. Bonds8

About methyl (3R)-3-(dibenzylamino)cyclopentane-1-carboxylate;(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid

methyl (3R)-3-(dibenzylamino)cyclopentane-1-carboxylate;(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid (PubChem CID 159448743) has the molecular formula C32H44N2O6 and a molecular weight of 552.71 g/mol. Its IUPAC name is methyl (3R)-3-(dibenzylamino)cyclopentane-1-carboxylate;(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namemethyl (3R)-3-(dibenzylamino)cyclopentane-1-carboxylate;(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid
PubChem CID159448743
Molecular FormulaC32H44N2O6
Molecular Weight552.71 g/mol
Exact Mass552.32
IUPAC Namemethyl (3R)-3-(dibenzylamino)cyclopentane-1-carboxylate;(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid
SMILESCC(C)(C)OC(=O)N[C@@H]1CCC(C(=O)O)C1.COC(=O)C1CC[C@@H](N(Cc2ccccc2)Cc2ccccc2)C1
InChIInChI=1S/C21H25NO2.C11H19NO4/c1-24-21(23)19-12-13-20(14-19)22(15-17-8-4-2-5-9-17)16-18-10-6-3-7-11-18;1-11(2,3)16-10(15)12-8-5-4-7(6-8)9(13)14/h2-11,19-20H,12-16H2,1H3;7-8H,4-6H2,1-3H3,(H,12,15)(H,13,14)/t19?,20-;7?,8-/m11/s1
InChIKeyLTCATDGZCQZRID-FEFCQRHRSA-N
XLogP5.79
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.71
LogP ≤ 55.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl (3R)-3-(dibenzylamino)cyclopentane-1-carboxylate;(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-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-(dibenzylamino)cyclopentane-1-carboxylic acid
CID 67068353
methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate
CID 23397565
3-(dibenzylamino)cyclohexane-1-carboxylic acid
CID 71024282
tert-butyl N-[(1S,3S)-3-[[(2-phenylacetyl)amino]carbamoyl]cyclopentyl]carbamate
CID 59028706
1-O-tert-butyl 2-O-methyl (2R,4S)-4-(dibenzylamino)piperidine-1,2-dicarboxylate
CID 118473892
[(4S)-4-(dibenzylamino)-2-methylcyclohexyl]carbamic acid
CID 89477255
benzyl N-methyl-N-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 91361033
(1R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid;trans-(1R,3R)-3-aminocyclopentane-1-carboxylic acid;hydrochloride
CID 158831950
tert-butyl N-[4-[benzyl(1H-indene-2-carbonyl)amino]cyclohexyl]carbamate
CID 59201768
tert-butyl N-[(2S,6S)-1-benzyl-2,6-dimethylpiperidin-4-yl]carbamate
CID 92998286
tert-butyl (1R,2S,3R)-2-(dibenzylamino)-3-methylcyclopentane-1-carboxylate
CID 11360978
tert-butyl N-[(1R,3S)-3-(benzenesulfonylmethyl)cyclopentyl]carbamate
CID 21109996

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-3-(dibenzylamino)cyclopentane-1-carboxylate;(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of methyl (3R)-3-(dibenzylamino)cyclopentane-1-carboxylate;(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid (CID 159448743) is methyl (3R)-3-(dibenzylamino)cyclopentane-1-carboxylate;(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for methyl (3R)-3-(dibenzylamino)cyclopentane-1-carboxylate;(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for methyl (3R)-3-(dibenzylamino)cyclopentane-1-carboxylate;(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid is CC(C)(C)OC(=O)N[C@@H]1CCC(C(=O)O)C1.COC(=O)C1CC[C@@H](N(Cc2ccccc2)Cc2ccccc2)C1.
What is the InChIKey of methyl (3R)-3-(dibenzylamino)cyclopentane-1-carboxylate;(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid?
The InChIKey is LTCATDGZCQZRID-FEFCQRHRSA-N. The full InChI is InChI=1S/C21H25NO2.C11H19NO4/c1-24-21(23)19-12-13-20(14-19)22(15-17-8-4-2-5-9-17)16-18-10-6-3-7-11-18;1-11(2,3)16-10(15)12-8-5-4-7(6-8)9(13)14/h2-11,19-20H,12-16H2,1H3;7-8H,4-6H2,1-3H3,(H,12,15)(H,13,14)/t19?,20-;7?,8-/m11/s1.
What are the key properties of methyl (3R)-3-(dibenzylamino)cyclopentane-1-carboxylate;(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid?
methyl (3R)-3-(dibenzylamino)cyclopentane-1-carboxylate;(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid has a molecular weight of 552.71 g/mol, XLogP of 5.79, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-3-(dibenzylamino)cyclopentane-1-carboxylate;(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 159448743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).