dimethyl 5-[(3-aminocyclopentanecarbonyl)amino]benzene-1,3-dicarboxylate

C16H20N2O5 — CID 119673682

IUPACdimethyl 5-[(3-aminocyclopentanecarbonyl)amino]benzene-1,3-dicarboxylate
SMILESCOC(=O)c1cc(NC(=O)C2CCC(N)C2)cc(C(=O)OC)c1
InChIInChI=1S/C16H20N2O5/c1-22-15(20)10-5-11(16(21)23-2)8-13(7-10)18-14(19)9-3-4-12(17)6-9/h5,7-9,12H,3-4,6,17H2,1-2H3,(H,18,19)
InChIKeyPUTNWPYHSQEOFZ-UHFFFAOYSA-N
MW320.35 g/mol
LogP1.33
Rot. Bonds4

About dimethyl 5-[(3-aminocyclopentanecarbonyl)amino]benzene-1,3-dicarboxylate

dimethyl 5-[(3-aminocyclopentanecarbonyl)amino]benzene-1,3-dicarboxylate (PubChem CID 119673682) has the molecular formula C16H20N2O5 and a molecular weight of 320.35 g/mol. Its IUPAC name is dimethyl 5-[(3-aminocyclopentanecarbonyl)amino]benzene-1,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 5-[(3-aminocyclopentanecarbonyl)amino]benzene-1,3-dicarboxylate
PubChem CID119673682
Molecular FormulaC16H20N2O5
Molecular Weight320.35 g/mol
Exact Mass320.14
IUPAC Namedimethyl 5-[(3-aminocyclopentanecarbonyl)amino]benzene-1,3-dicarboxylate
SMILESCOC(=O)c1cc(NC(=O)C2CCC(N)C2)cc(C(=O)OC)c1
InChIInChI=1S/C16H20N2O5/c1-22-15(20)10-5-11(16(21)23-2)8-13(7-10)18-14(19)9-3-4-12(17)6-9/h5,7-9,12H,3-4,6,17H2,1-2H3,(H,18,19)
InChIKeyPUTNWPYHSQEOFZ-UHFFFAOYSA-N
XLogP1.33
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-[(3-aminocyclopentanecarbonyl)amino]benzoate;hydrochloride
CID 119671365
3-amino-N-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 66030664
3-amino-N-(3-chloro-4-methoxyphenyl)cyclopentane-1-carboxamide
CID 66030670
N-(4-acetamido-3-methoxyphenyl)-3-aminocyclopentane-1-carboxamide
CID 66030500
3-amino-N-(4-methylphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670946
3-amino-N-(3,5-difluoro-4-iodophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119764593
3-amino-N-(3,4-dimethylphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670627
3-amino-N-[4-(carbamoylamino)-3-methoxyphenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119779701
3-amino-N-(3,5-difluoro-4-methoxyphenyl)cyclohexane-1-carboxamide
CID 119725618
3-amino-N-(4-chlorophenyl)cyclopentane-1-carboxamide
CID 66031270
trans-(1S,2S)-2-[[3,5-bis(methoxycarbonyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 991046
3-amino-N-(3,5-dimethylphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119673929

Frequently Asked Questions

What is the IUPAC name of dimethyl 5-[(3-aminocyclopentanecarbonyl)amino]benzene-1,3-dicarboxylate?
The IUPAC name of dimethyl 5-[(3-aminocyclopentanecarbonyl)amino]benzene-1,3-dicarboxylate (CID 119673682) is dimethyl 5-[(3-aminocyclopentanecarbonyl)amino]benzene-1,3-dicarboxylate.
What is the SMILES notation for dimethyl 5-[(3-aminocyclopentanecarbonyl)amino]benzene-1,3-dicarboxylate?
The canonical SMILES for dimethyl 5-[(3-aminocyclopentanecarbonyl)amino]benzene-1,3-dicarboxylate is COC(=O)c1cc(NC(=O)C2CCC(N)C2)cc(C(=O)OC)c1.
What is the InChIKey of dimethyl 5-[(3-aminocyclopentanecarbonyl)amino]benzene-1,3-dicarboxylate?
The InChIKey is PUTNWPYHSQEOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O5/c1-22-15(20)10-5-11(16(21)23-2)8-13(7-10)18-14(19)9-3-4-12(17)6-9/h5,7-9,12H,3-4,6,17H2,1-2H3,(H,18,19).
What are the key properties of dimethyl 5-[(3-aminocyclopentanecarbonyl)amino]benzene-1,3-dicarboxylate?
dimethyl 5-[(3-aminocyclopentanecarbonyl)amino]benzene-1,3-dicarboxylate has a molecular weight of 320.35 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 5-[(3-aminocyclopentanecarbonyl)amino]benzene-1,3-dicarboxylate is sourced from PubChem (CID 119673682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).