(1S,3S,4S)-3-amino-4-hydroxy-N-[(2-methoxyphenyl)methyl]-N-methylcyclopentane-1-carboxamide;hydrochloride

C15H23ClN2O3 — CID 155940113

IUPAC(1S,3S,4S)-3-amino-4-hydroxy-N-[(2-methoxyphenyl)methyl]-N-methylcyclopentane-1-carboxamide;hydrochloride
SMILESCOc1ccccc1CN(C)C(=O)[C@H]1C[C@H](N)[C@@H](O)C1.Cl
InChIInChI=1S/C15H22N2O3.ClH/c1-17(9-10-5-3-4-6-14(10)20-2)15(19)11-7-12(16)13(18)8-11;/h3-6,11-13,18H,7-9,16H2,1-2H3;1H/t11-,12-,13-;/m0./s1
InChIKeyOOVLOISVCQZZGM-QKWXXBCPSA-N
MW314.81 g/mol
LogP1.17
Rot. Bonds4

About (1S,3S,4S)-3-amino-4-hydroxy-N-[(2-methoxyphenyl)methyl]-N-methylcyclopentane-1-carboxamide;hydrochloride

(1S,3S,4S)-3-amino-4-hydroxy-N-[(2-methoxyphenyl)methyl]-N-methylcyclopentane-1-carboxamide;hydrochloride (PubChem CID 155940113) has the molecular formula C15H23ClN2O3 and a molecular weight of 314.81 g/mol. Its IUPAC name is (1S,3S,4S)-3-amino-4-hydroxy-N-[(2-methoxyphenyl)methyl]-N-methylcyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name(1S,3S,4S)-3-amino-4-hydroxy-N-[(2-methoxyphenyl)methyl]-N-methylcyclopentane-1-carboxamide;hydrochloride
PubChem CID155940113
Molecular FormulaC15H23ClN2O3
Molecular Weight314.81 g/mol
Exact Mass314.14
IUPAC Name(1S,3S,4S)-3-amino-4-hydroxy-N-[(2-methoxyphenyl)methyl]-N-methylcyclopentane-1-carboxamide;hydrochloride
SMILESCOc1ccccc1CN(C)C(=O)[C@H]1C[C@H](N)[C@@H](O)C1.Cl
InChIInChI=1S/C15H22N2O3.ClH/c1-17(9-10-5-3-4-6-14(10)20-2)15(19)11-7-12(16)13(18)8-11;/h3-6,11-13,18H,7-9,16H2,1-2H3;1H/t11-,12-,13-;/m0./s1
InChIKeyOOVLOISVCQZZGM-QKWXXBCPSA-N
XLogP1.17
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.81
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1S,3S,4S)-3-amino-4-hydroxy-N-[(2-methoxyphenyl)methyl]-N-methylcyclopentane-1-carboxamide;hydrochloride with MolForge

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Related Compounds

(1S,3S,4S)-3-amino-4-hydroxy-N-[3-(2-methoxyphenoxy)propyl]-N-methylcyclopentane-1-carboxamide;hydrochloride
CID 155937908
4-(aminomethyl)-N-[(2-methoxyphenyl)methyl]-N-methylcyclohexane-1-carboxamide
CID 79511106
N-[(2-methoxyphenyl)methyl]-N,2-dimethylpiperidine-4-carboxamide
CID 106739545
2-[(2-methoxyphenyl)methyl-methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103977987
(3S)-N-[(2-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 81128624
3-amino-N-[(2-ethoxyphenyl)methyl]-N-methylcyclohexane-1-carboxamide;hydrochloride
CID 119738433
(1S,3R,4R)-3-amino-4-methoxy-N-methyl-N-[[2-(2-methylpropoxy)phenyl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 163333943
(1S,3R,4R)-4-amino-N-[(2-fluorophenyl)methyl]-3-hydroxy-N-methylcyclohexane-1-carboxamide
CID 155919154
2-amino-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 60718962
N-[(2-methoxyphenyl)methyl]-N-methyl-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119266862
N-[(2-methoxyphenyl)methyl]-N,6-dimethylpiperidine-2-carboxamide
CID 61417523
3-amino-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119715374

Frequently Asked Questions

What is the IUPAC name of (1S,3S,4S)-3-amino-4-hydroxy-N-[(2-methoxyphenyl)methyl]-N-methylcyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of (1S,3S,4S)-3-amino-4-hydroxy-N-[(2-methoxyphenyl)methyl]-N-methylcyclopentane-1-carboxamide;hydrochloride (CID 155940113) is (1S,3S,4S)-3-amino-4-hydroxy-N-[(2-methoxyphenyl)methyl]-N-methylcyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for (1S,3S,4S)-3-amino-4-hydroxy-N-[(2-methoxyphenyl)methyl]-N-methylcyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for (1S,3S,4S)-3-amino-4-hydroxy-N-[(2-methoxyphenyl)methyl]-N-methylcyclopentane-1-carboxamide;hydrochloride is COc1ccccc1CN(C)C(=O)[C@H]1C[C@H](N)[C@@H](O)C1.Cl.
What is the InChIKey of (1S,3S,4S)-3-amino-4-hydroxy-N-[(2-methoxyphenyl)methyl]-N-methylcyclopentane-1-carboxamide;hydrochloride?
The InChIKey is OOVLOISVCQZZGM-QKWXXBCPSA-N. The full InChI is InChI=1S/C15H22N2O3.ClH/c1-17(9-10-5-3-4-6-14(10)20-2)15(19)11-7-12(16)13(18)8-11;/h3-6,11-13,18H,7-9,16H2,1-2H3;1H/t11-,12-,13-;/m0./s1.
What are the key properties of (1S,3S,4S)-3-amino-4-hydroxy-N-[(2-methoxyphenyl)methyl]-N-methylcyclopentane-1-carboxamide;hydrochloride?
(1S,3S,4S)-3-amino-4-hydroxy-N-[(2-methoxyphenyl)methyl]-N-methylcyclopentane-1-carboxamide;hydrochloride has a molecular weight of 314.81 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3S,4S)-3-amino-4-hydroxy-N-[(2-methoxyphenyl)methyl]-N-methylcyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 155940113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).