3-amino-N-[4-(2-amino-2-oxoethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride

C14H20ClN3O2 — CID 119711689

IUPAC3-amino-N-[4-(2-amino-2-oxoethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCl.NC(=O)Cc1ccc(NC(=O)C2CCC(N)C2)cc1
InChIInChI=1S/C14H19N3O2.ClH/c15-11-4-3-10(8-11)14(19)17-12-5-1-9(2-6-12)7-13(16)18;/h1-2,5-6,10-11H,3-4,7-8,15H2,(H2,16,18)(H,17,19);1H
InChIKeyURDCJPFZPNRYMD-UHFFFAOYSA-N
MW297.79 g/mol
LogP1.20
Rot. Bonds4

About 3-amino-N-[4-(2-amino-2-oxoethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride

3-amino-N-[4-(2-amino-2-oxoethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride (PubChem CID 119711689) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is 3-amino-N-[4-(2-amino-2-oxoethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[4-(2-amino-2-oxoethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride
PubChem CID119711689
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC Name3-amino-N-[4-(2-amino-2-oxoethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCl.NC(=O)Cc1ccc(NC(=O)C2CCC(N)C2)cc1
InChIInChI=1S/C14H19N3O2.ClH/c15-11-4-3-10(8-11)14(19)17-12-5-1-9(2-6-12)7-13(16)18;/h1-2,5-6,10-11H,3-4,7-8,15H2,(H2,16,18)(H,17,19);1H
InChIKeyURDCJPFZPNRYMD-UHFFFAOYSA-N
XLogP1.20
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119719008
3-amino-N-(4-methylphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670946
3-amino-N-(4-fluorophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670664
2-[4-[(3-aminocyclohexanecarbonyl)amino]phenyl]acetic acid
CID 63045402
3-amino-N-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119860849
3-amino-N-(4-chlorophenyl)cyclopentane-1-carboxamide
CID 66031270
3-amino-N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119700136
3-amino-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]cyclopentane-1-carboxamide
CID 119712465
3-amino-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]cyclohexane-1-carboxamide
CID 63043789
3-amino-N-[4-(azepan-1-ylmethyl)phenyl]cyclopentane-1-carboxamide
CID 119867921
3-amino-N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119717914
methyl 3-[4-[(3-aminocyclopentanecarbonyl)amino]phenyl]propanoate
CID 119775675

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-(2-amino-2-oxoethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-[4-(2-amino-2-oxoethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride (CID 119711689) is 3-amino-N-[4-(2-amino-2-oxoethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[4-(2-amino-2-oxoethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-[4-(2-amino-2-oxoethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride is Cl.NC(=O)Cc1ccc(NC(=O)C2CCC(N)C2)cc1.
What is the InChIKey of 3-amino-N-[4-(2-amino-2-oxoethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride?
The InChIKey is URDCJPFZPNRYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2.ClH/c15-11-4-3-10(8-11)14(19)17-12-5-1-9(2-6-12)7-13(16)18;/h1-2,5-6,10-11H,3-4,7-8,15H2,(H2,16,18)(H,17,19);1H.
What are the key properties of 3-amino-N-[4-(2-amino-2-oxoethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride?
3-amino-N-[4-(2-amino-2-oxoethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride has a molecular weight of 297.79 g/mol, XLogP of 1.20, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-(2-amino-2-oxoethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119711689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).