methyl 3-[4-[(3-aminocyclopentanecarbonyl)amino]phenyl]propanoate

C16H22N2O3 — CID 119775675

IUPACmethyl 3-[4-[(3-aminocyclopentanecarbonyl)amino]phenyl]propanoate
SMILESCOC(=O)CCc1ccc(NC(=O)C2CCC(N)C2)cc1
InChIInChI=1S/C16H22N2O3/c1-21-15(19)9-4-11-2-7-14(8-3-11)18-16(20)12-5-6-13(17)10-12/h2-3,7-8,12-13H,4-6,9-10,17H2,1H3,(H,18,20)
InChIKeyODSOTZIWLYVPFK-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.86
Rot. Bonds5

About methyl 3-[4-[(3-aminocyclopentanecarbonyl)amino]phenyl]propanoate

methyl 3-[4-[(3-aminocyclopentanecarbonyl)amino]phenyl]propanoate (PubChem CID 119775675) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is methyl 3-[4-[(3-aminocyclopentanecarbonyl)amino]phenyl]propanoate.

Molecular Properties

Compound Namemethyl 3-[4-[(3-aminocyclopentanecarbonyl)amino]phenyl]propanoate
PubChem CID119775675
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Namemethyl 3-[4-[(3-aminocyclopentanecarbonyl)amino]phenyl]propanoate
SMILESCOC(=O)CCc1ccc(NC(=O)C2CCC(N)C2)cc1
InChIInChI=1S/C16H22N2O3/c1-21-15(19)9-4-11-2-7-14(8-3-11)18-16(20)12-5-6-13(17)10-12/h2-3,7-8,12-13H,4-6,9-10,17H2,1H3,(H,18,20)
InChIKeyODSOTZIWLYVPFK-UHFFFAOYSA-N
XLogP1.86
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 66030664
methyl 3-[4-[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]phenyl]propanoate
CID 119775677
methyl 4-[(3-aminocyclopentanecarbonyl)amino]benzoate;hydrochloride
CID 119671365
3-amino-N-[4-(2-amino-2-oxoethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119711689
3-amino-N-(4-methylphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670946
methyl 4-[4-[(3-aminocyclohexanecarbonyl)amino]phenoxy]butanoate
CID 119784190
3-amino-N-[4-(cyclopentyloxymethyl)phenyl]cyclopentane-1-carboxamide
CID 119795202
3-amino-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119719008
3-amino-N-[4-[4-(2-methoxyethyl)phenoxy]phenyl]cyclohexane-1-carboxamide
CID 119779626
3-amino-N-(4-chlorophenyl)cyclopentane-1-carboxamide
CID 66031270
methyl 3-[[4-[(3-aminocyclohexanecarbonyl)amino]benzoyl]amino]propanoate;hydrochloride
CID 119701343
methyl 3-[[3-[(3-aminocyclopentanecarbonyl)amino]phenyl]methylsulfanyl]propanoate;hydrochloride
CID 119775578

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-[(3-aminocyclopentanecarbonyl)amino]phenyl]propanoate?
The IUPAC name of methyl 3-[4-[(3-aminocyclopentanecarbonyl)amino]phenyl]propanoate (CID 119775675) is methyl 3-[4-[(3-aminocyclopentanecarbonyl)amino]phenyl]propanoate.
What is the SMILES notation for methyl 3-[4-[(3-aminocyclopentanecarbonyl)amino]phenyl]propanoate?
The canonical SMILES for methyl 3-[4-[(3-aminocyclopentanecarbonyl)amino]phenyl]propanoate is COC(=O)CCc1ccc(NC(=O)C2CCC(N)C2)cc1.
What is the InChIKey of methyl 3-[4-[(3-aminocyclopentanecarbonyl)amino]phenyl]propanoate?
The InChIKey is ODSOTZIWLYVPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-21-15(19)9-4-11-2-7-14(8-3-11)18-16(20)12-5-6-13(17)10-12/h2-3,7-8,12-13H,4-6,9-10,17H2,1H3,(H,18,20).
What are the key properties of methyl 3-[4-[(3-aminocyclopentanecarbonyl)amino]phenyl]propanoate?
methyl 3-[4-[(3-aminocyclopentanecarbonyl)amino]phenyl]propanoate has a molecular weight of 290.36 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-[(3-aminocyclopentanecarbonyl)amino]phenyl]propanoate is sourced from PubChem (CID 119775675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).